N-benzyl-4,4-difluorobutanamide

C11H13F2NO — CID 132965820

IUPACN-benzyl-4,4-difluorobutanamide
SMILESO=C(CCC(F)F)NCc1ccccc1
InChIInChI=1S/C11H13F2NO/c12-10(13)6-7-11(15)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)
InChIKeyWOHWGCCEPTYAEH-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.35
Rot. Bonds5

About N-benzyl-4,4-difluorobutanamide

N-benzyl-4,4-difluorobutanamide (PubChem CID 132965820) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is N-benzyl-4,4-difluorobutanamide.

Molecular Properties

Compound NameN-benzyl-4,4-difluorobutanamide
PubChem CID132965820
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC NameN-benzyl-4,4-difluorobutanamide
SMILESO=C(CCC(F)F)NCc1ccccc1
InChIInChI=1S/C11H13F2NO/c12-10(13)6-7-11(15)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15)
InChIKeyWOHWGCCEPTYAEH-UHFFFAOYSA-N
XLogP2.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-4-fluoro-7-oxooctanamide
CID 154713599
5-(benzylamino)-2-methyl-5-oxopentanoic acid
CID 112515547
N-benzyl-4-(methylamino)heptanamide
CID 142110243
N-benzyl-4-bromooctanamide
CID 174470522
N-benzyl-N'-[(4-fluorophenyl)methyl]butanediamide
CID 91939014
N-benzyl-3-chloropropanamide
CID 10391
N-benzyl-4,4-dimethylpentanamide
CID 59836653
N'-benzylbutanediamide
CID 4682951
6-(benzylamino)-6-oxohexanoic acid
CID 43529432
(3R)-N-benzyl-3-hydroxypentanamide
CID 130658384
N-benzylundecanamide
CID 5078198
lithium;N-benzyl-3-chloropropanamide;hydride
CID 173211913

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4,4-difluorobutanamide?
The IUPAC name of N-benzyl-4,4-difluorobutanamide (CID 132965820) is N-benzyl-4,4-difluorobutanamide.
What is the SMILES notation for N-benzyl-4,4-difluorobutanamide?
The canonical SMILES for N-benzyl-4,4-difluorobutanamide is O=C(CCC(F)F)NCc1ccccc1.
What is the InChIKey of N-benzyl-4,4-difluorobutanamide?
The InChIKey is WOHWGCCEPTYAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-10(13)6-7-11(15)14-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,15).
What are the key properties of N-benzyl-4,4-difluorobutanamide?
N-benzyl-4,4-difluorobutanamide has a molecular weight of 213.23 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4,4-difluorobutanamide is sourced from PubChem (CID 132965820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).