4,4-difluoro-N-methylcyclohexane-1-carboxamide

C8H13F2NO — CID 70231221

IUPAC4,4-difluoro-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C8H13F2NO/c1-11-7(12)6-2-4-8(9,10)5-3-6/h6H,2-5H2,1H3,(H,11,12)
InChIKeyZJXVGZXFSQHHDV-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.56
Rot. Bonds1

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

4,4-difluoro-N-methylcyclohexane-1-carboxamide (PubChem CID 70231221) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 4,4-difluoro-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-N-methylcyclohexane-1-carboxamide
PubChem CID70231221
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name4,4-difluoro-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1CCC(F)(F)CC1
InChIInChI=1S/C8H13F2NO/c1-11-7(12)6-2-4-8(9,10)5-3-6/h6H,2-5H2,1H3,(H,11,12)
InChIKeyZJXVGZXFSQHHDV-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 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 ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-N-methylcyclohexane-1-carboxamide (CID 70231221) is 4,4-difluoro-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-N-methylcyclohexane-1-carboxamide is CNC(=O)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N-methylcyclohexane-1-carboxamide?
The InChIKey is ZJXVGZXFSQHHDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-11-7(12)6-2-4-8(9,10)5-3-6/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 4,4-difluoro-N-methylcyclohexane-1-carboxamide?
4,4-difluoro-N-methylcyclohexane-1-carboxamide has a molecular weight of 177.19 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 70231221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).