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Details

Stereochemistry MIXED
Molecular Formula C13H20F6O2
Molecular Weight 322.2871
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 4
E/Z Centers 0
Charge 0
Stereo Comments Assumed mixed

SHOW SMILES / InChI
Structure of 2-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)-3-METHYL-6-PROPAN-2-YLCYCLOHEXANOL

SMILES

CC(C)C1CCC(C)C(C1O)C(O)(C(F)(F)F)C(F)(F)F

InChI

InChIKey=RWABFIHTJVNYGG-UHFFFAOYSA-N
InChI=1S/C13H20F6O2/c1-6(2)8-5-4-7(3)9(10(8)20)11(21,12(14,15)16)13(17,18)19/h6-10,20-21H,4-5H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C13H20F6O2
Molecular Weight 322.2871
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 0 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:37:48 GMT 2025
Edited
by admin
on Tue Apr 01 19:37:48 GMT 2025
Record UNII
C004BVXGHG
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-159991
Preferred Name English
2-(1,1,1,3,3,3-HEXAFLUORO-2-HYDROXYPROPAN-2-YL)-3-METHYL-6-PROPAN-2-YLCYCLOHEXANOL
Systematic Name English
2-HYDROXY-6-METHYL-3-(1-METHYLETHYL)-.ALPHA.,.ALPHA.-BIS(TRIFLUOROMETHYL)-, CYCLOHEXANEMETHANOL
Common Name English
Code System Code Type Description
FDA UNII
C004BVXGHG
Created by admin on Tue Apr 01 19:37:48 GMT 2025 , Edited by admin on Tue Apr 01 19:37:48 GMT 2025
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CAS
34844-42-3
Created by admin on Tue Apr 01 19:37:48 GMT 2025 , Edited by admin on Tue Apr 01 19:37:48 GMT 2025
PRIMARY
EPA CompTox
DTXSID70956323
Created by admin on Tue Apr 01 19:37:48 GMT 2025 , Edited by admin on Tue Apr 01 19:37:48 GMT 2025
PRIMARY
PUBCHEM
98979
Created by admin on Tue Apr 01 19:37:48 GMT 2025 , Edited by admin on Tue Apr 01 19:37:48 GMT 2025
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NSC
159991
Created by admin on Tue Apr 01 19:37:48 GMT 2025 , Edited by admin on Tue Apr 01 19:37:48 GMT 2025
PRIMARY