4,4-difluoro-1-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide

C9H15F2NO2 — CID 162592331

IUPAC4,4-difluoro-1-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(CO)CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO2/c1-12-7(14)8(6-13)2-4-9(10,11)5-3-8/h13H,2-6H2,1H3,(H,12,14)
InChIKeyZQDRQSWYSXBNPL-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.92
Rot. Bonds2

About 4,4-difluoro-1-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide

4,4-difluoro-1-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 162592331) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 4,4-difluoro-1-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-1-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
PubChem CID162592331
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name4,4-difluoro-1-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide
SMILESCNC(=O)C1(CO)CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO2/c1-12-7(14)8(6-13)2-4-9(10,11)5-3-8/h13H,2-6H2,1H3,(H,12,14)
InChIKeyZQDRQSWYSXBNPL-UHFFFAOYSA-N
XLogP0.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4,4-difluoro-1-(hydroxymethyl)cyclohexane-1-carboxylic acid
CID 86690087
4-(hydroxymethyl)-4-(methylcarbamoyl)piperidine-1-carboxylic acid
CID 71118297
1-(2-fluoroethyl)-N-methylcyclopropane-1-carboxamide
CID 126985970
1-(hydroxymethyl)-N-[(2R)-3-methylbutan-2-yl]cyclopropane-1-carboxamide
CID 164555229
1-(carboxymethyl)-4,4-difluorocyclohexane-1-carboxylic acid
CID 176916515
1-fluoro-N-methylcyclobutane-1-carboxamide
CID 130266037
2-[4,4-difluoro-1-(methylaminooxy)cyclohexyl]acetic acid
CID 165457571
3-(hydroxymethyl)-N-methylbicyclo[1.1.1]pentane-1-carboxamide
CID 139406892
N,4-dimethyloxane-4-carboxamide;ethane
CID 163271298
2-methyl-3-[3-methyl-3-(methylcarbamoyl)pyrrolidin-1-yl]propanoic acid
CID 106318937
1-(hydroxymethyl)-N-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxamide
CID 115182298
ethane;4-ethyl-N-methyl-1-methylsulfonylpiperidine-4-carboxamide
CID 163233842

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of 4,4-difluoro-1-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide (CID 162592331) is 4,4-difluoro-1-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for 4,4-difluoro-1-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for 4,4-difluoro-1-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide is CNC(=O)C1(CO)CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-1-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is ZQDRQSWYSXBNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c1-12-7(14)8(6-13)2-4-9(10,11)5-3-8/h13H,2-6H2,1H3,(H,12,14).
What are the key properties of 4,4-difluoro-1-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide?
4,4-difluoro-1-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 207.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(hydroxymethyl)-N-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 162592331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).