Chem
J-GLOBAL ID：200907050477246190   Nikkaji number：J1.414.753E

(1S)-6,6-Difluoro-7β-(trifluoromethyl)-1β,4β:5β,8β-dimethano-1,4,4aα,5,6,7,8,8aα-octahydronaphthalene-7-carboxylic acid ethyl ester

(1S)-6,6-ジフルオロ-7β-(トリフルオロメチル)-1β,4β:5β,8β-ジメタノ-1,4,4aα,5,6,7,8,8aα-オクタヒドロナフタレン-7-カルボン酸エチル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C16H17F5O2
Molecular formula furigana： C16-H17-F5-O2
Molecular weight： 336.302
InChI： InChI=1S/C16H17F5O2/c1-2-23-13(22)14(16(19,20)21)9-6-10(15(14,17)18)12-8-4-3-7(5-8)11(9)12/h3-4,7-12H,2,5-6H2,1H3/t7-,8+,9+,10-,11-,12+,14-/m1/s1
InChI key： MOGOZVVWUSSQEX-BYMGEYMMSA-N
SMILES： CCOC(=O)[C@@]1([C@H]2C[C@H]([C@@H]3[C@@H]4C[C@@H](C=C4)[C@H]23)C1(F)F)C(F)(F)F
Systematic name  (3)：
  • (1S)-6,6-ジフルオロ-7β-(トリフルオロメチル)-1β,4β:5β,8β-ジメタノ-1,4,4aα,5,6,7,8,8aα-オクタヒドロナフタレン-7-カルボン酸エチル
  • エチル (1S,2S,3S,4R,6R,7R,8R)-5,5-ジフルオロ-4-(トリフルオロメチル)テトラシクロ[6.2.1.13,6.02,7]ドデカ-9-エン-4-カルボキシラート
  • ethyl (1S,2S,3S,4R,6R,7R,8R)-5,5-difluoro-4-(trifluoromethyl)tetracyclo[6.2.1.13,6.02,7]dodec-9-ene-4-carboxylate
Other name (1)：
  • (1S)-6,6-Difluoro-7β-(trifluoromethyl)-1β,4β:5β,8β-dimethano-1,4,4aα,5,6,7,8,8aα-octahydronaphthalene-7-carboxylic acid ethyl ester
Thsaurus map：
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