4,4-difluoro-3-methylcyclohexane-1-carboxamide

C8H13F2NO — CID 118559743

IUPAC4,4-difluoro-3-methylcyclohexane-1-carboxamide
SMILESCC1CC(C(N)=O)CCC1(F)F
InChIInChI=1S/C8H13F2NO/c1-5-4-6(7(11)12)2-3-8(5,9)10/h5-6H,2-4H2,1H3,(H2,11,12)
InChIKeyMGPIJQOXVLFDBF-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.54
Rot. Bonds1

About 4,4-difluoro-3-methylcyclohexane-1-carboxamide

4,4-difluoro-3-methylcyclohexane-1-carboxamide (PubChem CID 118559743) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 4,4-difluoro-3-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-3-methylcyclohexane-1-carboxamide
PubChem CID118559743
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name4,4-difluoro-3-methylcyclohexane-1-carboxamide
SMILESCC1CC(C(N)=O)CCC1(F)F
InChIInChI=1S/C8H13F2NO/c1-5-4-6(7(11)12)2-3-8(5,9)10/h5-6H,2-4H2,1H3,(H2,11,12)
InChIKeyMGPIJQOXVLFDBF-UHFFFAOYSA-N
XLogP1.54
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1S,3R)-3-methylcyclopentane-1-carboxamide
CID 142105884
[(1R,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine
CID 125470811
[(1S,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine
CID 125470812
ethane;3-methylcyclopentane-1-carboxamide;propane-2,2-diol
CID 171107207
3,3-dimethylcyclopentane-1-carboxamide
CID 58806265
spiro[3.5]nonane-7-carboxamide
CID 90020117
trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane
CID 121406270
3-methyl-3-azaspiro[5.5]undecane-9-carboxamide
CID 59505677
bicyclo[3.2.0]heptane-3-carboxamide
CID 53431016
tert-butyl N-[(4,4-difluoro-3-methylcyclohexyl)sulfanylcarbamoyl]carbamate
CID 163212468
cyclohexane;cyclohexane-1,4-dicarboxamide
CID 70276765
4-N-methylcyclohexane-1,4-dicarboxamide
CID 131039944

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methylcyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-3-methylcyclohexane-1-carboxamide (CID 118559743) is 4,4-difluoro-3-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-3-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-3-methylcyclohexane-1-carboxamide is CC1CC(C(N)=O)CCC1(F)F.
What is the InChIKey of 4,4-difluoro-3-methylcyclohexane-1-carboxamide?
The InChIKey is MGPIJQOXVLFDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-5-4-6(7(11)12)2-3-8(5,9)10/h5-6H,2-4H2,1H3,(H2,11,12).
What are the key properties of 4,4-difluoro-3-methylcyclohexane-1-carboxamide?
4,4-difluoro-3-methylcyclohexane-1-carboxamide has a molecular weight of 177.19 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 118559743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).