N-(2-fluoroethyl)-3-methyl-2-oxohexanamide

C9H16FNO2 — CID 145466660

IUPACN-(2-fluoroethyl)-3-methyl-2-oxohexanamide
SMILESCCCC(C)C(=O)C(=O)NCCF
InChIInChI=1S/C9H16FNO2/c1-3-4-7(2)8(12)9(13)11-6-5-10/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyFXQVKWCNYOSOPM-UHFFFAOYSA-N
MW189.23 g/mol
LogP1.08
Rot. Bonds6

About N-(2-fluoroethyl)-3-methyl-2-oxohexanamide

N-(2-fluoroethyl)-3-methyl-2-oxohexanamide (PubChem CID 145466660) has the molecular formula C9H16FNO2 and a molecular weight of 189.23 g/mol. Its IUPAC name is N-(2-fluoroethyl)-3-methyl-2-oxohexanamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-3-methyl-2-oxohexanamide
PubChem CID145466660
Molecular FormulaC9H16FNO2
Molecular Weight189.23 g/mol
Exact Mass189.12
IUPAC NameN-(2-fluoroethyl)-3-methyl-2-oxohexanamide
SMILESCCCC(C)C(=O)C(=O)NCCF
InChIInChI=1S/C9H16FNO2/c1-3-4-7(2)8(12)9(13)11-6-5-10/h7H,3-6H2,1-2H3,(H,11,13)
InChIKeyFXQVKWCNYOSOPM-UHFFFAOYSA-N
XLogP1.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.23
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-Butyl-2-ethylhexanamide
CID 24058
3-Amino-5-methyl-2-oxo-hexanoic acid (3-methyl-butyl)-amide
CID 15719282
(3R)-3-amino-5-methyl-N-(3-methylbutyl)-2-oxohexanamide
CID 15719283
2-oxo-N-pentylcyclopentane-1-carboxamide
CID 57398075
2,2-dimethyl-N-[(1S,4S)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide
CID 164679204
2,2-dimethyl-N-[(1R,4R)-2-oxo-4-(trifluoromethyl)cyclohexyl]propanamide
CID 176434988
Acetamide, N-(1-acetyl-3-methylbutyl)-
CID 12277623
N,2-Diethylhexanamide
CID 3028554
Hexanamide, 2-ethyl-N-propyl-
CID 4343495
N-[4-fluoro-3,3-bis(2-fluoropropan-2-yl)-4-methyl-2-oxopentyl]acetamide
CID 23184770
2,2-difluoro-5-methyl-3-oxo-N-propylhexanamide
CID 23192887
N-(3-fluoro-3,4-dimethylhexan-2-yl)hexanamide
CID 57044172

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-3-methyl-2-oxohexanamide?
The IUPAC name of N-(2-fluoroethyl)-3-methyl-2-oxohexanamide (CID 145466660) is N-(2-fluoroethyl)-3-methyl-2-oxohexanamide.
What is the SMILES notation for N-(2-fluoroethyl)-3-methyl-2-oxohexanamide?
The canonical SMILES for N-(2-fluoroethyl)-3-methyl-2-oxohexanamide is CCCC(C)C(=O)C(=O)NCCF.
What is the InChIKey of N-(2-fluoroethyl)-3-methyl-2-oxohexanamide?
The InChIKey is FXQVKWCNYOSOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2/c1-3-4-7(2)8(12)9(13)11-6-5-10/h7H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-(2-fluoroethyl)-3-methyl-2-oxohexanamide?
N-(2-fluoroethyl)-3-methyl-2-oxohexanamide has a molecular weight of 189.23 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-3-methyl-2-oxohexanamide is sourced from PubChem (CID 145466660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).