N-(2,2-difluoroethyl)-N-methylbutanamide

C7H13F2NO — CID 115611582

IUPACN-(2,2-difluoroethyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)CC(F)F
InChIInChI=1S/C7H13F2NO/c1-3-4-7(11)10(2)5-6(8)9/h6H,3-5H2,1-2H3
InChIKeyVTRIJJUFMLKLIY-UHFFFAOYSA-N
MW165.18 g/mol
LogP1.51
Rot. Bonds4

About N-(2,2-difluoroethyl)-N-methylbutanamide

N-(2,2-difluoroethyl)-N-methylbutanamide (PubChem CID 115611582) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-N-methylbutanamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-N-methylbutanamide
PubChem CID115611582
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC NameN-(2,2-difluoroethyl)-N-methylbutanamide
SMILESCCCC(=O)N(C)CC(F)F
InChIInChI=1S/C7H13F2NO/c1-3-4-7(11)10(2)5-6(8)9/h6H,3-5H2,1-2H3
InChIKeyVTRIJJUFMLKLIY-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-N-(2-methylbutyl)butanamide
CID 21263621
ethyl N-(2,2-difluoroethyl)-N-methylcarbamate
CID 115611635
N-(aminomethyl)-N-methylbutanamide
CID 155070465
N-(3-fluoropropyl)-N-methylbutanamide
CID 169103064
N-(2-bromoethyl)-N-methylbutanamide
CID 80658424
2-(azetidin-3-yl)-N-(2,2-difluoroethyl)-N-methylacetamide
CID 115738577
N,N-dimethylbutanamide;hydrochloride
CID 87498306
N-(2-bromopropyl)-N-methylpentanamide
CID 80666538
N-(2-hydroxy-2-thiophen-2-ylethyl)-N-methylbutanamide
CID 110663588
N-(2-chloropropyl)-N-methylhexanamide
CID 63394168
CID 18739109
CID 18739109
N-(2-hydroxy-3-methoxypropyl)-N-methyldecanamide
CID 54993682

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-N-methylbutanamide?
The IUPAC name of N-(2,2-difluoroethyl)-N-methylbutanamide (CID 115611582) is N-(2,2-difluoroethyl)-N-methylbutanamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-N-methylbutanamide?
The canonical SMILES for N-(2,2-difluoroethyl)-N-methylbutanamide is CCCC(=O)N(C)CC(F)F.
What is the InChIKey of N-(2,2-difluoroethyl)-N-methylbutanamide?
The InChIKey is VTRIJJUFMLKLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c1-3-4-7(11)10(2)5-6(8)9/h6H,3-5H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-N-methylbutanamide?
N-(2,2-difluoroethyl)-N-methylbutanamide has a molecular weight of 165.18 g/mol, XLogP of 1.51, 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-methylbutanamide is sourced from PubChem (CID 115611582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).