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

C9H15F2NO — CID 20644847

IUPACN-(3,3-difluoroprop-2-enyl)-N-methylpentanamide
SMILESCCCCC(=O)N(C)CC=C(F)F
InChIInChI=1S/C9H15F2NO/c1-3-4-5-9(13)12(2)7-6-8(10)11/h6H,3-5,7H2,1-2H3
InChIKeyAWNABLUOGSNCBX-UHFFFAOYSA-N
MW191.22 g/mol
LogP2.42
Rot. Bonds5

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

N-(3,3-difluoroprop-2-enyl)-N-methylpentanamide (PubChem CID 20644847) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is N-(3,3-difluoroprop-2-enyl)-N-methylpentanamide.

Molecular Properties

Compound NameN-(3,3-difluoroprop-2-enyl)-N-methylpentanamide
PubChem CID20644847
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC NameN-(3,3-difluoroprop-2-enyl)-N-methylpentanamide
SMILESCCCCC(=O)N(C)CC=C(F)F
InChIInChI=1S/C9H15F2NO/c1-3-4-5-9(13)12(2)7-6-8(10)11/h6H,3-5,7H2,1-2H3
InChIKeyAWNABLUOGSNCBX-UHFFFAOYSA-N
XLogP2.42
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-Diethyl-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
CID 3660287
N-allyl-2-fluoro-N-methylpentanamide
CID 135391097
N-allyl-N-methylpentanamide
CID 135391089
N,N-diethyl-2,2,3,3,4,4,5,5-octafluoropentanamide
CID 19831698
N-(3,3-difluoroprop-2-enyl)-N-methylbutanamide
CID 20644845
N-(3,3-difluoroprop-2-enyl)-N-methylhexanamide
CID 20644846
N-(3,3-difluoroprop-2-enyl)-N-methylpropanamide
CID 20644848
5-fluoro-N-methyl-N-prop-2-enylpentanamide
CID 22975875
N-methyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide
CID 59464908
N-ethyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide
CID 59464916
N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-N-propylprop-2-enamide
CID 59464920
N-butyl-N-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)prop-2-enamide
CID 59464922

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoroprop-2-enyl)-N-methylpentanamide?
The IUPAC name of N-(3,3-difluoroprop-2-enyl)-N-methylpentanamide (CID 20644847) is N-(3,3-difluoroprop-2-enyl)-N-methylpentanamide.
What is the SMILES notation for N-(3,3-difluoroprop-2-enyl)-N-methylpentanamide?
The canonical SMILES for N-(3,3-difluoroprop-2-enyl)-N-methylpentanamide is CCCCC(=O)N(C)CC=C(F)F.
What is the InChIKey of N-(3,3-difluoroprop-2-enyl)-N-methylpentanamide?
The InChIKey is AWNABLUOGSNCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c1-3-4-5-9(13)12(2)7-6-8(10)11/h6H,3-5,7H2,1-2H3.
What are the key properties of N-(3,3-difluoroprop-2-enyl)-N-methylpentanamide?
N-(3,3-difluoroprop-2-enyl)-N-methylpentanamide has a molecular weight of 191.22 g/mol, XLogP of 2.42, 5 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-methylpentanamide is sourced from PubChem (CID 20644847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).