2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol

C9H15F3O — CID 11138028

IUPAC2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol
SMILESOCC[C@@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C9H15F3O/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h7-8,13H,1-6H2/t7-,8-/m0/s1
InChIKeyWYKKVVMUYLNXBS-YUMQZZPRSA-N
MW196.21 g/mol
LogP2.74
Rot. Bonds2

About 2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol

2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 11138028) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol
PubChem CID11138028
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol
SMILESOCC[C@@H]1CCCC[C@@H]1C(F)(F)F
InChIInChI=1S/C9H15F3O/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h7-8,13H,1-6H2/t7-,8-/m0/s1
InChIKeyWYKKVVMUYLNXBS-YUMQZZPRSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-isocyanoethyl)-2-(trifluoromethyl)cyclopentane
CID 84771788
cis-(1R,2R)-1-(bromomethyl)-2-(trifluoromethyl)cyclohexane
CID 170910314
(2S)-1-ethyl-2-(trifluoromethyl)cyclohexane
CID 135256943
cis-(1R,2S)-2-(2-hydroxyethyl)cyclohexan-1-ol
CID 71357650
[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanamine;hydrochloride
CID 170912591
1-(2-isocyanatoethyl)-2-(trifluoromethyl)cyclohexane
CID 84787766
[2-(trifluoromethyl)cyclohexyl]methylhydrazine
CID 104622067
1-(isocyanomethyl)-2-(trifluoromethyl)cyclohexane
CID 84771786
2-[[2-(trifluoromethyl)cyclohexyl]amino]ethanol
CID 64759490
N-cyclopentyl-N-(2-hydroxyethyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 104622417
N-propyl-N'-[[2-(trifluoromethyl)cyclohexyl]methyl]ethane-1,2-diamine
CID 113433966
2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 4206055

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol (CID 11138028) is 2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol is OCC[C@@H]1CCCC[C@@H]1C(F)(F)F.
What is the InChIKey of 2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is WYKKVVMUYLNXBS-YUMQZZPRSA-N. The full InChI is InChI=1S/C9H15F3O/c10-9(11,12)8-4-2-1-3-7(8)5-6-13/h7-8,13H,1-6H2/t7-,8-/m0/s1.
What are the key properties of 2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol?
2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol has a molecular weight of 196.21 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-(trifluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 11138028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).