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

C9H15F2NO — CID 118929110

IUPACN-(4,4-difluorocyclohexyl)-N-methylacetamide
SMILESCC(=O)N(C)C1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO/c1-7(13)12(2)8-3-5-9(10,11)6-4-8/h8H,3-6H2,1-2H3
InChIKeySOFYBJNFSZBSRH-UHFFFAOYSA-N
MW191.22 g/mol
LogP2.04
Rot. Bonds1

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

N-(4,4-difluorocyclohexyl)-N-methylacetamide (PubChem CID 118929110) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is N-(4,4-difluorocyclohexyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(4,4-difluorocyclohexyl)-N-methylacetamide
PubChem CID118929110
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC NameN-(4,4-difluorocyclohexyl)-N-methylacetamide
SMILESCC(=O)N(C)C1CCC(F)(F)CC1
InChIInChI=1S/C9H15F2NO/c1-7(13)12(2)8-3-5-9(10,11)6-4-8/h8H,3-6H2,1-2H3
InChIKeySOFYBJNFSZBSRH-UHFFFAOYSA-N
XLogP2.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Acetamide, N-cyclohexyl-N-methyl-
CID 243970
N-Cyclohexyl-2,2,2-trifluoro-N-methylacetamide
CID 62491979
N,N-di-n-Pentyltrifluoroacetamide
CID 587667
N-cyclopentyl-2,2,2-trifluoro-N-methylacetamide
CID 63374781
2,2,2-trifluoro-N-[(1R,3R)-3-fluorocyclopentyl]-N-methylacetamide
CID 89417106
2,2,2-Trifluoro-1-(cis-3-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827886
2,2,2-Trifluoro-1-(cis-5-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827919
N-Cyclohexyl-N-ethylacetamide
CID 558465
N,N-Dicyclohexyl-2,2,2-trifluoroacetamide
CID 543477
N-cyclohexyl-2,2,2-trifluoro-N-propan-2-ylacetamide
CID 125502413
2,2,2-Trifluoro-1-(cis-4-fluoro-2-methylpiperidin-1-yl)ethan-1-one
CID 134827917
2,2,2-Trifluoro-1-(cis-5-fluoro-2-(trifluoromethyl)piperidin-1-yl)ethan-1-one
CID 134827940

Frequently Asked Questions

What is the IUPAC name of N-(4,4-difluorocyclohexyl)-N-methylacetamide?
The IUPAC name of N-(4,4-difluorocyclohexyl)-N-methylacetamide (CID 118929110) is N-(4,4-difluorocyclohexyl)-N-methylacetamide.
What is the SMILES notation for N-(4,4-difluorocyclohexyl)-N-methylacetamide?
The canonical SMILES for N-(4,4-difluorocyclohexyl)-N-methylacetamide is CC(=O)N(C)C1CCC(F)(F)CC1.
What is the InChIKey of N-(4,4-difluorocyclohexyl)-N-methylacetamide?
The InChIKey is SOFYBJNFSZBSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-7(13)12(2)8-3-5-9(10,11)6-4-8/h8H,3-6H2,1-2H3.
What are the key properties of N-(4,4-difluorocyclohexyl)-N-methylacetamide?
N-(4,4-difluorocyclohexyl)-N-methylacetamide has a molecular weight of 191.22 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4-difluorocyclohexyl)-N-methylacetamide is sourced from PubChem (CID 118929110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).