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

C8H13F2NO — CID 20644845

IUPACN-(3,3-difluoroprop-2-enyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)CC=C(F)F
InChIInChI=1S/C8H13F2NO/c1-3-4-8(12)11(2)6-5-7(9)10/h5H,3-4,6H2,1-2H3
InChIKeyDKMMJECKZRHGGB-UHFFFAOYSA-N
MW177.19 g/mol
LogP2.03
Rot. Bonds4

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

N-(3,3-difluoroprop-2-enyl)-N-methylbutanamide (PubChem CID 20644845) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is N-(3,3-difluoroprop-2-enyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-(3,3-difluoroprop-2-enyl)-N-methylbutanamide
PubChem CID20644845
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC NameN-(3,3-difluoroprop-2-enyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)CC=C(F)F
InChIInChI=1S/C8H13F2NO/c1-3-4-8(12)11(2)6-5-7(9)10/h5H,3-4,6H2,1-2H3
InChIKeyDKMMJECKZRHGGB-UHFFFAOYSA-N
XLogP2.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 52.03
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-methylbutanamide?
The IUPAC name of N-(3,3-difluoroprop-2-enyl)-N-methylbutanamide (CID 20644845) is N-(3,3-difluoroprop-2-enyl)-N-methylbutanamide.
What is the SMILES notation for N-(3,3-difluoroprop-2-enyl)-N-methylbutanamide?
The canonical SMILES for N-(3,3-difluoroprop-2-enyl)-N-methylbutanamide is CCCC(=O)N(C)CC=C(F)F.
What is the InChIKey of N-(3,3-difluoroprop-2-enyl)-N-methylbutanamide?
The InChIKey is DKMMJECKZRHGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-3-4-8(12)11(2)6-5-7(9)10/h5H,3-4,6H2,1-2H3.
What are the key properties of N-(3,3-difluoroprop-2-enyl)-N-methylbutanamide?
N-(3,3-difluoroprop-2-enyl)-N-methylbutanamide has a molecular weight of 177.19 g/mol, XLogP of 2.03, 4 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-methylbutanamide is sourced from PubChem (CID 20644845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).