2-(4,4-difluorocyclohexyl)-N-methylacetamide

C9H15F2NO — CID 131702534

IUPAC2-(4,4-difluorocyclohexyl)-N-methylacetamide
SMILESCNC(=O)CC1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO/c1-12-8(13)6-7-2-4-9(10,11)5-3-7/h7H,2-6H2,1H3,(H,12,13)
InChIKeyFNDFYHYSSWOWKL-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.95
Rot. Bonds2

About 2-(4,4-difluorocyclohexyl)-N-methylacetamide

2-(4,4-difluorocyclohexyl)-N-methylacetamide (PubChem CID 131702534) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-N-methylacetamide
PubChem CID131702534
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name2-(4,4-difluorocyclohexyl)-N-methylacetamide
SMILESCNC(=O)CC1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO/c1-12-8(13)6-7-2-4-9(10,11)5-3-7/h7H,2-6H2,1H3,(H,12,13)
InChIKeyFNDFYHYSSWOWKL-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-cyclohexyl-N-(2-methylpropyl)propanamide
CID 803724
3-cyclohexyl-N-propylpropanamide
CID 4451812
N-Methylcyclohexanecarboxamide
CID 3343827
N-butyl-3-cyclohexylpropanamide
CID 1756824
(2S,3S,5R,6R)-1,2,3,5,6-pentafluoro-N-methylcyclohexane-1-carboxamide
CID 172915019
N-methyl-3-[2-(trifluoromethyl)cyclohexyl]propanamide
CID 176432926
3-(1-fluorocyclopentyl)-N-methylpropanamide
CID 177851919
1,2,2,3,3,4,4,5,5,6,6-undecafluoro-N-methylcyclohexanecarboxamide
CID 17386519
N-methyl-2-[4-(trifluoromethyl)cyclohexyl]acetamide
CID 126792226
2-cyclohexyl-N-(2-fluoroethyl)acetamide
CID 18360952
2,2,2-trifluoro-N-[2-(4-oxocyclohexyl)ethyl]acetamide
CID 54403503
N-(trifluoromethyl)cyclohexanecarboxamide
CID 54530013

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-N-methylacetamide?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-N-methylacetamide (CID 131702534) is 2-(4,4-difluorocyclohexyl)-N-methylacetamide.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-N-methylacetamide?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-N-methylacetamide is CNC(=O)CC1CCC(F)(F)CC1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-N-methylacetamide?
The InChIKey is FNDFYHYSSWOWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-12-8(13)6-7-2-4-9(10,11)5-3-7/h7H,2-6H2,1H3,(H,12,13).
What are the key properties of 2-(4,4-difluorocyclohexyl)-N-methylacetamide?
2-(4,4-difluorocyclohexyl)-N-methylacetamide has a molecular weight of 191.22 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-N-methylacetamide is sourced from PubChem (CID 131702534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).