3-(2-fluoroacetyl)-N-propylhexanamide

C11H20FNO2 — CID 142124961

IUPAC3-(2-fluoroacetyl)-N-propylhexanamide
SMILESCCCNC(=O)CC(CCC)C(=O)CF
InChIInChI=1S/C11H20FNO2/c1-3-5-9(10(14)8-12)7-11(15)13-6-4-2/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyQZCZGPWRFNBJRG-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.86
Rot. Bonds8

About 3-(2-fluoroacetyl)-N-propylhexanamide

3-(2-fluoroacetyl)-N-propylhexanamide (PubChem CID 142124961) has the molecular formula C11H20FNO2 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-(2-fluoroacetyl)-N-propylhexanamide.

Molecular Properties

Compound Name3-(2-fluoroacetyl)-N-propylhexanamide
PubChem CID142124961
Molecular FormulaC11H20FNO2
Molecular Weight217.28 g/mol
Exact Mass217.15
IUPAC Name3-(2-fluoroacetyl)-N-propylhexanamide
SMILESCCCNC(=O)CC(CCC)C(=O)CF
InChIInChI=1S/C11H20FNO2/c1-3-5-9(10(14)8-12)7-11(15)13-6-4-2/h9H,3-8H2,1-2H3,(H,13,15)
InChIKeyQZCZGPWRFNBJRG-UHFFFAOYSA-N
XLogP1.86
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-Butyl-2-ethylhexanamide
CID 24058
2-oxo-N-pentylcyclopentane-1-carboxamide
CID 57398075
N,2-Diethylhexanamide
CID 3028554
Hexanamide, 2-ethyl-N-propyl-
CID 4343495
4-(3-Fluoro-2-methylpropyl)pyrrolidin-2-one
CID 21888360
2,2-difluoro-5-methyl-3-oxo-N-propylhexanamide
CID 23192887
4-[(2S)-3-fluoro-2-methylpropyl]pyrrolidin-2-one
CID 53814598
2,2-difluoro-3-oxo-4-propan-2-yl-N-propylhexanediamide
CID 53883323
N-(3-fluoro-3,4-dimethylhexan-2-yl)hexanamide
CID 57044172
N-(5-methyl-6-oxoheptyl)-6-[(2,2,2-trifluoroacetyl)amino]hexanamide
CID 58571250
4-ethyl-N-(2-fluoroethyl)-2-methyl-5-oxohexanamide
CID 58690119
(4S)-4-(3-fluoro-2-methylpropyl)pyrrolidin-2-one
CID 59094008

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroacetyl)-N-propylhexanamide?
The IUPAC name of 3-(2-fluoroacetyl)-N-propylhexanamide (CID 142124961) is 3-(2-fluoroacetyl)-N-propylhexanamide.
What is the SMILES notation for 3-(2-fluoroacetyl)-N-propylhexanamide?
The canonical SMILES for 3-(2-fluoroacetyl)-N-propylhexanamide is CCCNC(=O)CC(CCC)C(=O)CF.
What is the InChIKey of 3-(2-fluoroacetyl)-N-propylhexanamide?
The InChIKey is QZCZGPWRFNBJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO2/c1-3-5-9(10(14)8-12)7-11(15)13-6-4-2/h9H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 3-(2-fluoroacetyl)-N-propylhexanamide?
3-(2-fluoroacetyl)-N-propylhexanamide has a molecular weight of 217.28 g/mol, XLogP of 1.86, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroacetyl)-N-propylhexanamide is sourced from PubChem (CID 142124961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).