2,2-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol

C12H21F3O — CID 105096783

IUPAC2,2-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol
SMILESCC(C)(C)C(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3O/c1-11(2,3)10(16)8-4-6-9(7-5-8)12(13,14)15/h8-10,16H,4-7H2,1-3H3
InChIKeyNMNKUWJAEYPWQZ-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.76
Rot. Bonds1

About 2,2-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol

2,2-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol (PubChem CID 105096783) has the molecular formula C12H21F3O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol
PubChem CID105096783
Molecular FormulaC12H21F3O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name2,2-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol
SMILESCC(C)(C)C(O)C1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H21F3O/c1-11(2,3)10(16)8-4-6-9(7-5-8)12(13,14)15/h8-10,16H,4-7H2,1-3H3
InChIKeyNMNKUWJAEYPWQZ-UHFFFAOYSA-N
XLogP3.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2,2-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol 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

Cyclohexanol, 4-(1,1-dimethylpropyl)-
CID 79302
2-Tert-butyl-5-methylcyclohexanol
CID 137834
Cyclohexanemethanol, alpha,3,3-trimethyl-
CID 91338
Cyclohexanemethanol, alpha-methyl-4-(1-methylethyl)-
CID 114233
1-Cyclohexyl-2,2-dimethylpropan-1-ol
CID 143868
1,4-Cyclohexanedimethanol, 1-ethyl-
CID 106758
Cyclohexanemethanol, 4-(1,1-dimethylethyl)-alpha-methyl-
CID 114234
4-tert-Butylcyclohexylmethanol
CID 82759
2-(1,1,1,2,3,3,3-Heptafluoropropan-2-yl)-5-methylcyclohexan-1-ol
CID 71442100
3-tert-Butylcyclohexanol
CID 12602923
Cyclohexanepropanol, alpha,gamma,gamma,4-tetramethyl-
CID 107356
Cyclohexanepropanol, alpha,beta,beta-trimethyl-
CID 175124

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol?
The IUPAC name of 2,2-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol (CID 105096783) is 2,2-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol is CC(C)(C)C(O)C1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2,2-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol?
The InChIKey is NMNKUWJAEYPWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O/c1-11(2,3)10(16)8-4-6-9(7-5-8)12(13,14)15/h8-10,16H,4-7H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol?
2,2-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol has a molecular weight of 238.29 g/mol, XLogP of 3.76, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-(trifluoromethyl)cyclohexyl]propan-1-ol is sourced from PubChem (CID 105096783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).