N-(5,5-difluoropentyl)-N-propylprop-2-enamide

C11H19F2NO — CID 89357676

IUPACN-(5,5-difluoropentyl)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)CCCCC(F)F
InChIInChI=1S/C11H19F2NO/c1-3-8-14(11(15)4-2)9-6-5-7-10(12)13/h4,10H,2-3,5-9H2,1H3
InChIKeyFZZWRONEEWWCMK-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.85
Rot. Bonds8

About N-(5,5-difluoropentyl)-N-propylprop-2-enamide

N-(5,5-difluoropentyl)-N-propylprop-2-enamide (PubChem CID 89357676) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(5,5-difluoropentyl)-N-propylprop-2-enamide.

Molecular Properties

Compound NameN-(5,5-difluoropentyl)-N-propylprop-2-enamide
PubChem CID89357676
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC NameN-(5,5-difluoropentyl)-N-propylprop-2-enamide
SMILESC=CC(=O)N(CCC)CCCCC(F)F
InChIInChI=1S/C11H19F2NO/c1-3-8-14(11(15)4-2)9-6-5-7-10(12)13/h4,10H,2-3,5-9H2,1H3
InChIKeyFZZWRONEEWWCMK-UHFFFAOYSA-N
XLogP2.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.85
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'}

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Related Compounds

N-butyl-N-(5,5-difluoropentyl)prop-2-enamide
CID 89352114
[1-phosphono-7-[prop-2-enoyl-[2-[prop-2-enoyl(propyl)amino]ethyl]amino]heptyl]phosphonic acid
CID 134429982
N-(3-aminopropyl)-N-propylprop-2-enamide
CID 150203035
N-(6-phosphoroso-6-phosphorosooxyhexyl)-N-propylprop-2-enamide
CID 131970660
CID 140502794
CID 140502794
ethane;N-prop-2-enyl-N-propylprop-2-enamide
CID 143794226
N-decyl-N-ethylprop-2-enamide;hydrazine
CID 158315253
N-butyl-N-(4-oxobutyl)prop-2-enamide
CID 90459536
N,N-bis(5-hydroxypentyl)prop-2-enamide
CID 87130034
N-decyl-N-(2-ethoxyethyl)prop-2-enamide
CID 150859933
butyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 134486342
2-methylpropyl 3-[prop-2-enoyl(propyl)amino]propanoate
CID 134486343

Frequently Asked Questions

What is the IUPAC name of N-(5,5-difluoropentyl)-N-propylprop-2-enamide?
The IUPAC name of N-(5,5-difluoropentyl)-N-propylprop-2-enamide (CID 89357676) is N-(5,5-difluoropentyl)-N-propylprop-2-enamide.
What is the SMILES notation for N-(5,5-difluoropentyl)-N-propylprop-2-enamide?
The canonical SMILES for N-(5,5-difluoropentyl)-N-propylprop-2-enamide is C=CC(=O)N(CCC)CCCCC(F)F.
What is the InChIKey of N-(5,5-difluoropentyl)-N-propylprop-2-enamide?
The InChIKey is FZZWRONEEWWCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-3-8-14(11(15)4-2)9-6-5-7-10(12)13/h4,10H,2-3,5-9H2,1H3.
What are the key properties of N-(5,5-difluoropentyl)-N-propylprop-2-enamide?
N-(5,5-difluoropentyl)-N-propylprop-2-enamide has a molecular weight of 219.27 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5-difluoropentyl)-N-propylprop-2-enamide is sourced from PubChem (CID 89357676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).