2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol

C9H15F3O — CID 64773776

IUPAC2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol
SMILESCC1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F3O/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h6-8,13H,2-5H2,1H3
InChIKeyBNECWEOQURRIMM-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.74
Rot. Bonds1

About 2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol

2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol (PubChem CID 64773776) has the molecular formula C9H15F3O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol
PubChem CID64773776
Molecular FormulaC9H15F3O
Molecular Weight196.21 g/mol
Exact Mass196.11
IUPAC Name2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol
SMILESCC1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C9H15F3O/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h6-8,13H,2-5H2,1H3
InChIKeyBNECWEOQURRIMM-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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

Analyze 2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-aminocyclohexyl)-2,2,2-trifluoroethanol
CID 21252675
2,2,2-trifluoro-1-(4-pentylcyclohexyl)ethanol
CID 139741189
1-methyl-4-(1,1,1-trifluoropropan-2-yl)cyclohexane
CID 162553460
2-methyl-2-(methylamino)-1-(4-methylcyclohexyl)propan-1-ol
CID 130589667
(2R)-1,1,1-trifluoro-3-(4-methylcyclohexyl)propan-2-ol
CID 130596537
2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride
CID 66728457
(1S)-2,2,2-trifluoro-1-piperidin-4-ylethanol;hydrochloride
CID 70086662
1-cyclopropyl-2,2-difluoro-3,3-dimethylbutan-1-ol
CID 58044416
[4-(2,2,2-trifluoro-1-hydroxyethyl)cyclohexyl]carbamic acid
CID 129247542
amino-(4-methylcyclohexyl)methanol
CID 89201512
(4-fluorocyclohexyl)-(4-methylcyclohexyl)methanol
CID 123819677
2-(aminomethyl)-2-methyl-1-(4-methylcyclohexyl)butan-1-ol
CID 79125963

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol?
The IUPAC name of 2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol (CID 64773776) is 2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol.
What is the SMILES notation for 2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol?
The canonical SMILES for 2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol is CC1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol?
The InChIKey is BNECWEOQURRIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O/c1-6-2-4-7(5-3-6)8(13)9(10,11)12/h6-8,13H,2-5H2,1H3.
What are the key properties of 2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol?
2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol has a molecular weight of 196.21 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(4-methylcyclohexyl)ethanol is sourced from PubChem (CID 64773776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).