4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol

C13H13F6NO — CID 102707349

IUPAC4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol
SMILESOC1(c2cnccc2C(F)(F)F)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H13F6NO/c14-12(15,16)8-1-4-11(21,5-2-8)10-7-20-6-3-9(10)13(17,18)19/h3,6-8,21H,1-2,4-5H2
InChIKeyDLAMWZAXUNOWPQ-UHFFFAOYSA-N
MW313.24 g/mol
LogP4.04
Rot. Bonds1

About 4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol

4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol (PubChem CID 102707349) has the molecular formula C13H13F6NO and a molecular weight of 313.24 g/mol. Its IUPAC name is 4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol
PubChem CID102707349
Molecular FormulaC13H13F6NO
Molecular Weight313.24 g/mol
Exact Mass313.09
IUPAC Name4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol
SMILESOC1(c2cnccc2C(F)(F)F)CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H13F6NO/c14-12(15,16)8-1-4-11(21,5-2-8)10-7-20-6-3-9(10)13(17,18)19/h3,6-8,21H,1-2,4-5H2
InChIKeyDLAMWZAXUNOWPQ-UHFFFAOYSA-N
XLogP4.04
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.24
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-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

3-[4-(trifluoromethyl)-3-pyridinyl]azetidin-3-ol
CID 102707376
3-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]cyclobutan-1-ol
CID 106823883
9,9-dioxo-3-[4-(trifluoromethyl)-3-pyridinyl]-9λ6-thiabicyclo[3.3.1]nonan-3-ol
CID 171954379
1-[4-(trifluoromethyl)-3-pyridinyl]cyclopropan-1-amine
CID 112706938
1-pyrimidin-5-yl-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756517
2,5-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol
CID 102707348
dicyclopropyl-[4-(trifluoromethyl)-3-pyridinyl]methanol
CID 112743417
1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol
CID 64754292
1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756732
1-(2-fluoro-5-methylphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756729
4-(methylamino)-1-(4-methyl-3-pyridinyl)cyclohexan-1-ol
CID 66274243
4-(trifluoromethyl)pyridin-3-ol
CID 25210497

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol?
The IUPAC name of 4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol (CID 102707349) is 4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol.
What is the SMILES notation for 4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol?
The canonical SMILES for 4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol is OC1(c2cnccc2C(F)(F)F)CCC(C(F)(F)F)CC1.
What is the InChIKey of 4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol?
The InChIKey is DLAMWZAXUNOWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F6NO/c14-12(15,16)8-1-4-11(21,5-2-8)10-7-20-6-3-9(10)13(17,18)19/h3,6-8,21H,1-2,4-5H2.
What are the key properties of 4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol?
4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol has a molecular weight of 313.24 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-1-[4-(trifluoromethyl)-3-pyridinyl]cyclohexan-1-ol is sourced from PubChem (CID 102707349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).