N-(2,2-difluoroethyl)-N-ethylprop-2-enamide

C7H11F2NO — CID 89364203

IUPACN-(2,2-difluoroethyl)-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CC(F)F
InChIInChI=1S/C7H11F2NO/c1-3-7(11)10(4-2)5-6(8)9/h3,6H,1,4-5H2,2H3
InChIKeyLQNQCFYGUYIKOJ-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.29
Rot. Bonds4

About N-(2,2-difluoroethyl)-N-ethylprop-2-enamide

N-(2,2-difluoroethyl)-N-ethylprop-2-enamide (PubChem CID 89364203) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-ethylprop-2-enamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-ethylprop-2-enamide
PubChem CID89364203
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC NameN-(2,2-difluoroethyl)-N-ethylprop-2-enamide
SMILESC=CC(=O)N(CC)CC(F)F
InChIInChI=1S/C7H11F2NO/c1-3-7(11)10(4-2)5-6(8)9/h3,6H,1,4-5H2,2H3
InChIKeyLQNQCFYGUYIKOJ-UHFFFAOYSA-N
XLogP1.29
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-ethylprop-2-enamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-ethylprop-2-enamide (CID 89364203) is N-(2,2-difluoroethyl)-N-ethylprop-2-enamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-ethylprop-2-enamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-ethylprop-2-enamide is C=CC(=O)N(CC)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-ethylprop-2-enamide?
The InChIKey is LQNQCFYGUYIKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-3-7(11)10(4-2)5-6(8)9/h3,6H,1,4-5H2,2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-ethylprop-2-enamide?
N-(2,2-difluoroethyl)-N-ethylprop-2-enamide has a molecular weight of 163.17 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-N-ethylprop-2-enamide is sourced from PubChem (CID 89364203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).