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

C10H17F2NO — CID 89352171

IUPACN-(5,5-difluoropentyl)-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CCCCC(F)F
InChIInChI=1S/C10H17F2NO/c1-3-10(14)13(4-2)8-6-5-7-9(11)12/h3,9H,1,4-8H2,2H3
InChIKeyQXDLDMZDWKXKSF-UHFFFAOYSA-N
MW205.25 g/mol
LogP2.46
Rot. Bonds7

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

N-(5,5-difluoropentyl)-N-ethylprop-2-enamide (PubChem CID 89352171) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is N-(5,5-difluoropentyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound NameN-(5,5-difluoropentyl)-N-ethylprop-2-enamide
PubChem CID89352171
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC NameN-(5,5-difluoropentyl)-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CCCCC(F)F
InChIInChI=1S/C10H17F2NO/c1-3-10(14)13(4-2)8-6-5-7-9(11)12/h3,9H,1,4-8H2,2H3
InChIKeyQXDLDMZDWKXKSF-UHFFFAOYSA-N
XLogP2.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.46
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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Frequently Asked Questions

What is the IUPAC name of N-(5,5-difluoropentyl)-N-ethylprop-2-enamide?
The IUPAC name of N-(5,5-difluoropentyl)-N-ethylprop-2-enamide (CID 89352171) is N-(5,5-difluoropentyl)-N-ethylprop-2-enamide.
What is the SMILES notation for N-(5,5-difluoropentyl)-N-ethylprop-2-enamide?
The canonical SMILES for N-(5,5-difluoropentyl)-N-ethylprop-2-enamide is C=CC(=O)N(CC)CCCCC(F)F.
What is the InChIKey of N-(5,5-difluoropentyl)-N-ethylprop-2-enamide?
The InChIKey is QXDLDMZDWKXKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-3-10(14)13(4-2)8-6-5-7-9(11)12/h3,9H,1,4-8H2,2H3.
What are the key properties of N-(5,5-difluoropentyl)-N-ethylprop-2-enamide?
N-(5,5-difluoropentyl)-N-ethylprop-2-enamide has a molecular weight of 205.25 g/mol, XLogP of 2.46, 7 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-ethylprop-2-enamide is sourced from PubChem (CID 89352171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).