2-fluoro-2-methyl-N-(4-oxocyclohexyl)propanamide

C10H16FNO2 — CID 126982025

IUPAC2-fluoro-2-methyl-N-(4-oxocyclohexyl)propanamide
SMILESCC(C)(F)C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C10H16FNO2/c1-10(2,11)9(14)12-7-3-5-8(13)6-4-7/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyPQCPMTSCUZVAHZ-UHFFFAOYSA-N
MW201.24 g/mol
LogP1.36
Rot. Bonds2

About 2-fluoro-2-methyl-N-(4-oxocyclohexyl)propanamide

2-fluoro-2-methyl-N-(4-oxocyclohexyl)propanamide (PubChem CID 126982025) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is 2-fluoro-2-methyl-N-(4-oxocyclohexyl)propanamide.

Molecular Properties

Compound Name2-fluoro-2-methyl-N-(4-oxocyclohexyl)propanamide
PubChem CID126982025
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Name2-fluoro-2-methyl-N-(4-oxocyclohexyl)propanamide
SMILESCC(C)(F)C(=O)NC1CCC(=O)CC1
InChIInChI=1S/C10H16FNO2/c1-10(2,11)9(14)12-7-3-5-8(13)6-4-7/h7H,3-6H2,1-2H3,(H,12,14)
InChIKeyPQCPMTSCUZVAHZ-UHFFFAOYSA-N
XLogP1.36
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Cyclohexylacetoacetamide
CID 70805
N-(4-Oxocyclohexyl)acetamide
CID 538565
3-oxo-N-(2-oxocyclohexyl)pentanamide
CID 155543620
2,2-dimethyl-N-(4-oxocyclohexyl)propanamide
CID 43652748
Hexanamide, N-cyclohexyl
CID 280983
3,3,3-trifluoro-N-(4-oxocyclohexyl)propanamide
CID 43652766
Trifluorolevulinic acid cyclohexylamide
CID 129807159
N-acetyl-aminocyclohexanone
CID 12217020
N-(3-oxocyclohexyl)acetamide
CID 20529251
N-(5-oxohexan-2-yl)acetamide
CID 21343386
2-Methyl-N-(4-oxocyclohexyl)propanamide
CID 21533994
N-(4-fluorocyclohexyl)-2,2-dimethylpropanamide
CID 22958790

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-methyl-N-(4-oxocyclohexyl)propanamide?
The IUPAC name of 2-fluoro-2-methyl-N-(4-oxocyclohexyl)propanamide (CID 126982025) is 2-fluoro-2-methyl-N-(4-oxocyclohexyl)propanamide.
What is the SMILES notation for 2-fluoro-2-methyl-N-(4-oxocyclohexyl)propanamide?
The canonical SMILES for 2-fluoro-2-methyl-N-(4-oxocyclohexyl)propanamide is CC(C)(F)C(=O)NC1CCC(=O)CC1.
What is the InChIKey of 2-fluoro-2-methyl-N-(4-oxocyclohexyl)propanamide?
The InChIKey is PQCPMTSCUZVAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-10(2,11)9(14)12-7-3-5-8(13)6-4-7/h7H,3-6H2,1-2H3,(H,12,14).
What are the key properties of 2-fluoro-2-methyl-N-(4-oxocyclohexyl)propanamide?
2-fluoro-2-methyl-N-(4-oxocyclohexyl)propanamide has a molecular weight of 201.24 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-methyl-N-(4-oxocyclohexyl)propanamide is sourced from PubChem (CID 126982025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).