N-butyl-N-(5,5-difluoropentyl)prop-2-enamide

C12H21F2NO — CID 89352114

IUPACN-butyl-N-(5,5-difluoropentyl)prop-2-enamide
SMILESC=CC(=O)N(CCCC)CCCCC(F)F
InChIInChI=1S/C12H21F2NO/c1-3-5-9-15(12(16)4-2)10-7-6-8-11(13)14/h4,11H,2-3,5-10H2,1H3
InChIKeyAKYAMUSBNKSTMP-UHFFFAOYSA-N
MW233.30 g/mol
LogP3.24
Rot. Bonds9

About N-butyl-N-(5,5-difluoropentyl)prop-2-enamide

N-butyl-N-(5,5-difluoropentyl)prop-2-enamide (PubChem CID 89352114) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is N-butyl-N-(5,5-difluoropentyl)prop-2-enamide.

Molecular Properties

Compound NameN-butyl-N-(5,5-difluoropentyl)prop-2-enamide
PubChem CID89352114
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC NameN-butyl-N-(5,5-difluoropentyl)prop-2-enamide
SMILESC=CC(=O)N(CCCC)CCCCC(F)F
InChIInChI=1S/C12H21F2NO/c1-3-5-9-15(12(16)4-2)10-7-6-8-11(13)14/h4,11H,2-3,5-10H2,1H3
InChIKeyAKYAMUSBNKSTMP-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-butyl-N-(5,5-difluoropentyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5,5-difluoropentyl)-N-propylprop-2-enamide
CID 89357676
N-butyl-N-(4-oxobutyl)prop-2-enamide
CID 90459536
[1-phosphono-7-[prop-2-enoyl-[2-[prop-2-enoyl(propyl)amino]ethyl]amino]heptyl]phosphonic acid
CID 134429982
N-decyl-N-ethylprop-2-enamide;hydrazine
CID 158315253
methyl 3-[butyl(prop-2-enoyl)amino]propanoate
CID 134486283
N-decyl-N-(2-ethoxyethyl)prop-2-enamide
CID 150859933
N-(3-aminopropyl)-N-propylprop-2-enamide
CID 150203035
N-(6-phosphoroso-6-phosphorosooxyhexyl)-N-propylprop-2-enamide
CID 131970660
ethyl 2-[butyl(prop-2-enoyl)amino]acetate
CID 134486294
N,N-bis(5-hydroxypentyl)prop-2-enamide
CID 87130034
hexyl 3-[butyl(prop-2-enoyl)amino]propanoate
CID 134486285
N-octyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]prop-2-enamide
CID 18649780

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(5,5-difluoropentyl)prop-2-enamide?
The IUPAC name of N-butyl-N-(5,5-difluoropentyl)prop-2-enamide (CID 89352114) is N-butyl-N-(5,5-difluoropentyl)prop-2-enamide.
What is the SMILES notation for N-butyl-N-(5,5-difluoropentyl)prop-2-enamide?
The canonical SMILES for N-butyl-N-(5,5-difluoropentyl)prop-2-enamide is C=CC(=O)N(CCCC)CCCCC(F)F.
What is the InChIKey of N-butyl-N-(5,5-difluoropentyl)prop-2-enamide?
The InChIKey is AKYAMUSBNKSTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-3-5-9-15(12(16)4-2)10-7-6-8-11(13)14/h4,11H,2-3,5-10H2,1H3.
What are the key properties of N-butyl-N-(5,5-difluoropentyl)prop-2-enamide?
N-butyl-N-(5,5-difluoropentyl)prop-2-enamide has a molecular weight of 233.30 g/mol, XLogP of 3.24, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(5,5-difluoropentyl)prop-2-enamide is sourced from PubChem (CID 89352114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).