1-(difluoromethyl)cyclohexane-1-carboxamide

C8H13F2NO — CID 130645581

IUPAC1-(difluoromethyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(C(F)F)CCCCC1
InChIInChI=1S/C8H13F2NO/c9-6(10)8(7(11)12)4-2-1-3-5-8/h6H,1-5H2,(H2,11,12)
InChIKeyHACAZZUEOMSWIB-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.69
Rot. Bonds2

About 1-(difluoromethyl)cyclohexane-1-carboxamide

1-(difluoromethyl)cyclohexane-1-carboxamide (PubChem CID 130645581) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 1-(difluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)cyclohexane-1-carboxamide
PubChem CID130645581
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name1-(difluoromethyl)cyclohexane-1-carboxamide
SMILESNC(=O)C1(C(F)F)CCCCC1
InChIInChI=1S/C8H13F2NO/c9-6(10)8(7(11)12)4-2-1-3-5-8/h6H,1-5H2,(H2,11,12)
InChIKeyHACAZZUEOMSWIB-UHFFFAOYSA-N
XLogP1.69
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

potassium;hydride;1-propan-2-ylcyclohexane-1-carboxamide
CID 173332130
methyl 1-(difluoromethyl)cyclopentane-1-carboxylate
CID 130648445
1-[(1S)-1-(4-methylphenyl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 141176287
1-[(2R)-4-methyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 142099877
3-propan-2-yloxolane-3-carboxamide
CID 170386865
1-[(2R)-4,4-dimethyl-1-(methylamino)-1-oxopentan-2-yl]cyclohexane-1-carboxamide
CID 142099817
carbonic acid;cyclohexane-1,1-diamine
CID 175516465
1-hydroxycyclopentane-1-carboxamide
CID 12857769
1-(difluoromethyl)cyclooctan-1-amine
CID 80604781
1-(difluoromethyl)cyclododecan-1-amine
CID 80605370
1-aminocyclopentane-1-carboxamide
CID 139066563
1-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]cyclopentane-1-carboxamide
CID 71026868

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-(difluoromethyl)cyclohexane-1-carboxamide (CID 130645581) is 1-(difluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-(difluoromethyl)cyclohexane-1-carboxamide is NC(=O)C1(C(F)F)CCCCC1.
What is the InChIKey of 1-(difluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is HACAZZUEOMSWIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-6(10)8(7(11)12)4-2-1-3-5-8/h6H,1-5H2,(H2,11,12).
What are the key properties of 1-(difluoromethyl)cyclohexane-1-carboxamide?
1-(difluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 177.19 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 130645581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).