3,3-difluoro-N-phenylbutanamide

C10H11F2NO — CID 131059355

IUPAC3,3-difluoro-N-phenylbutanamide
SMILESCC(F)(F)CC(=O)Nc1ccccc1
InChIInChI=1S/C10H11F2NO/c1-10(11,12)7-9(14)13-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14)
InChIKeyRUUPBZUVOPHPHR-UHFFFAOYSA-N
MW199.20 g/mol
LogP2.67
Rot. Bonds3

About 3,3-difluoro-N-phenylbutanamide

3,3-difluoro-N-phenylbutanamide (PubChem CID 131059355) has the molecular formula C10H11F2NO and a molecular weight of 199.20 g/mol. Its IUPAC name is 3,3-difluoro-N-phenylbutanamide.

Molecular Properties

Compound Name3,3-difluoro-N-phenylbutanamide
PubChem CID131059355
Molecular FormulaC10H11F2NO
Molecular Weight199.20 g/mol
Exact Mass199.08
IUPAC Name3,3-difluoro-N-phenylbutanamide
SMILESCC(F)(F)CC(=O)Nc1ccccc1
InChIInChI=1S/C10H11F2NO/c1-10(11,12)7-9(14)13-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14)
InChIKeyRUUPBZUVOPHPHR-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-hydroxy-4-methyl-N-phenylpentanamide
CID 564630
4-anilino-2,2-dihydroxy-4-oxobutanoic acid
CID 141316230
3-hydroxy-3,5-dimethyl-N-phenylhex-5-enamide
CID 15681099
N'-(4-tert-butylphenyl)-N-phenylpropanediamide
CID 108952831
3,3-dimethyl-4-nitro-N-phenylbutanamide
CID 54404387
2-fluoro-2-methyl-N-phenylbutanamide
CID 132540278
6-amino-4,4-dimethyl-N-phenylhexanamide
CID 65292724
3-oxo-N-phenylbutanamide
CID 161275903
3-fluoro-N-phenylpropanamide
CID 70366284
2,2,3-trideuterio-N-phenylpropanamide
CID 71772190
3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide
CID 154754567
methyl 5-anilino-2,2-dimethyl-5-oxopentanoate
CID 70281853

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N-phenylbutanamide?
The IUPAC name of 3,3-difluoro-N-phenylbutanamide (CID 131059355) is 3,3-difluoro-N-phenylbutanamide.
What is the SMILES notation for 3,3-difluoro-N-phenylbutanamide?
The canonical SMILES for 3,3-difluoro-N-phenylbutanamide is CC(F)(F)CC(=O)Nc1ccccc1.
What is the InChIKey of 3,3-difluoro-N-phenylbutanamide?
The InChIKey is RUUPBZUVOPHPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO/c1-10(11,12)7-9(14)13-8-5-3-2-4-6-8/h2-6H,7H2,1H3,(H,13,14).
What are the key properties of 3,3-difluoro-N-phenylbutanamide?
3,3-difluoro-N-phenylbutanamide has a molecular weight of 199.20 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N-phenylbutanamide is sourced from PubChem (CID 131059355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).