4,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide

C14H25F2NO2 — CID 103899862

IUPAC4,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide
SMILESCC(C)(CCCO)CNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2NO2/c1-13(2,6-3-9-18)10-17-12(19)11-4-7-14(15,16)8-5-11/h11,18H,3-10H2,1-2H3,(H,17,19)
InChIKeyBRSSXQKWAAPRGJ-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.73
Rot. Bonds6

About 4,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide

4,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide (PubChem CID 103899862) has the molecular formula C14H25F2NO2 and a molecular weight of 277.36 g/mol. Its IUPAC name is 4,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide
PubChem CID103899862
Molecular FormulaC14H25F2NO2
Molecular Weight277.36 g/mol
Exact Mass277.19
IUPAC Name4,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide
SMILESCC(C)(CCCO)CNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C14H25F2NO2/c1-13(2,6-3-9-18)10-17-12(19)11-4-7-14(15,16)8-5-11/h11,18H,3-10H2,1-2H3,(H,17,19)
InChIKeyBRSSXQKWAAPRGJ-UHFFFAOYSA-N
XLogP2.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoro-N-[(2S)-1-hydroxypropan-2-yl]cyclohexane-1-carboxamide
CID 81932865
N-[(2S)-4-hydroxy-2-methylbutyl]-2-(1-methylcyclohexyl)acetamide
CID 97241164
N-(2,2-difluoro-3-hydroxypropyl)cyclohexanecarboxamide
CID 104858285
(5R)-N-(2,2-dimethylhexyl)-5-(hydroxymethyl)-4-methyl-5-(trifluoromethyl)nonanamide
CID 126716893
N-(4-hydroxy-2,2-dimethylpentyl)-2-(trifluoromethyl)cyclohexane-1-carboxamide
CID 71922009
N-(3-hydroxypropyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 78888004
5-hydroxy-N-[3-(trifluoromethyl)cyclohexyl]pentanamide
CID 79199055
5-hydroxy-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 79199848
5-hydroxy-N-[2-(trifluoromethyl)cyclohexyl]pentanamide
CID 79199849
N-(2-ethyl-4-hydroxybutyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80341285
N-(5-hydroxypentan-2-yl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80416616
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 80712184

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide (CID 103899862) is 4,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide is CC(C)(CCCO)CNC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide?
The InChIKey is BRSSXQKWAAPRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO2/c1-13(2,6-3-9-18)10-17-12(19)11-4-7-14(15,16)8-5-11/h11,18H,3-10H2,1-2H3,(H,17,19).
What are the key properties of 4,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide?
4,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide has a molecular weight of 277.36 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-(5-hydroxy-2,2-dimethylpentyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 103899862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).