N-(3,3-difluoroprop-2-enyl)-N-methylpropanamide

C7H11F2NO — CID 20644848

IUPACN-(3,3-difluoroprop-2-enyl)-N-methylpropanamide
SMILESCCC(=O)N(C)CC=C(F)F
InChIInChI=1S/C7H11F2NO/c1-3-7(11)10(2)5-4-6(8)9/h4H,3,5H2,1-2H3
InChIKeyPPZVFACREPAHEU-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.64
Rot. Bonds3

About N-(3,3-difluoroprop-2-enyl)-N-methylpropanamide

N-(3,3-difluoroprop-2-enyl)-N-methylpropanamide (PubChem CID 20644848) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is N-(3,3-difluoroprop-2-enyl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3,3-difluoroprop-2-enyl)-N-methylpropanamide
PubChem CID20644848
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC NameN-(3,3-difluoroprop-2-enyl)-N-methylpropanamide
SMILESCCC(=O)N(C)CC=C(F)F
InChIInChI=1S/C7H11F2NO/c1-3-7(11)10(2)5-4-6(8)9/h4H,3,5H2,1-2H3
InChIKeyPPZVFACREPAHEU-UHFFFAOYSA-N
XLogP1.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoroprop-2-enyl)-N-methylpropanamide?
The IUPAC name of N-(3,3-difluoroprop-2-enyl)-N-methylpropanamide (CID 20644848) is N-(3,3-difluoroprop-2-enyl)-N-methylpropanamide.
What is the SMILES notation for N-(3,3-difluoroprop-2-enyl)-N-methylpropanamide?
The canonical SMILES for N-(3,3-difluoroprop-2-enyl)-N-methylpropanamide is CCC(=O)N(C)CC=C(F)F.
What is the InChIKey of N-(3,3-difluoroprop-2-enyl)-N-methylpropanamide?
The InChIKey is PPZVFACREPAHEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-3-7(11)10(2)5-4-6(8)9/h4H,3,5H2,1-2H3.
What are the key properties of N-(3,3-difluoroprop-2-enyl)-N-methylpropanamide?
N-(3,3-difluoroprop-2-enyl)-N-methylpropanamide has a molecular weight of 163.17 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoroprop-2-enyl)-N-methylpropanamide is sourced from PubChem (CID 20644848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).