4,4-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)cyclohexane-1-carboxamide

C14H25F2NO2 — CID 103859878

IUPAC4,4-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2NO2/c1-13(2,3)8-11(18)9-17-12(19)10-4-6-14(15,16)7-5-10/h10-11,18H,4-9H2,1-3H3,(H,17,19)
InChIKeyLFTSJRUZZJKGLF-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.73
Rot. Bonds4

About 4,4-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)cyclohexane-1-carboxamide

4,4-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)cyclohexane-1-carboxamide (PubChem CID 103859878) has the molecular formula C14H25F2NO2 and a molecular weight of 277.35 g/mol. Its IUPAC name is 4,4-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)cyclohexane-1-carboxamide
PubChem CID103859878
Molecular FormulaC14H25F2NO2
Molecular Weight277.35 g/mol
Exact Mass277.19
IUPAC Name4,4-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)cyclohexane-1-carboxamide
SMILESCC(C)(C)CC(O)CNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2NO2/c1-13(2,3)8-11(18)9-17-12(19)10-4-6-14(15,16)7-5-10/h10-11,18H,4-9H2,1-3H3,(H,17,19)
InChIKeyLFTSJRUZZJKGLF-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,4-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)cyclohexane-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)cyclohexane-1-carboxamide (CID 103859878) is 4,4-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)cyclohexane-1-carboxamide is CC(C)(C)CC(O)CNC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)cyclohexane-1-carboxamide?
The InChIKey is LFTSJRUZZJKGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO2/c1-13(2,3)8-11(18)9-17-12(19)10-4-6-14(15,16)7-5-10/h10-11,18H,4-9H2,1-3H3,(H,17,19).
What are the key properties of 4,4-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)cyclohexane-1-carboxamide?
4,4-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)cyclohexane-1-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 2.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(2-hydroxy-4,4-dimethylpentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103859878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).