3-(3,4-difluorophenyl)-4,4-dimethylpentanamide

C13H17F2NO — CID 82084654

IUPAC3-(3,4-difluorophenyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)C(CC(N)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO/c1-13(2,3)9(7-12(16)17)8-4-5-10(14)11(15)6-8/h4-6,9H,7H2,1-3H3,(H2,16,17)
InChIKeyYPAXWLMWAQWTQG-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.97
Rot. Bonds3

About 3-(3,4-difluorophenyl)-4,4-dimethylpentanamide

3-(3,4-difluorophenyl)-4,4-dimethylpentanamide (PubChem CID 82084654) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 3-(3,4-difluorophenyl)-4,4-dimethylpentanamide.

Molecular Properties

Compound Name3-(3,4-difluorophenyl)-4,4-dimethylpentanamide
PubChem CID82084654
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name3-(3,4-difluorophenyl)-4,4-dimethylpentanamide
SMILESCC(C)(C)C(CC(N)=O)c1ccc(F)c(F)c1
InChIInChI=1S/C13H17F2NO/c1-13(2,3)9(7-12(16)17)8-4-5-10(14)11(15)6-8/h4-6,9H,7H2,1-3H3,(H2,16,17)
InChIKeyYPAXWLMWAQWTQG-UHFFFAOYSA-N
XLogP2.97
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-fluorophenyl)-4,4-dimethylpentanamide
CID 82080473
4,4-dimethyl-3-phenylpentanamide
CID 82077159
2-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]acetamide
CID 8637979
(3S)-3-(4-fluorophenyl)-4-methoxy-4-methylpentanamide
CID 158718442
ethyl 4-(3,4-difluorophenyl)-4-hydroxy-3-methylbutanoate
CID 146576795
2-(3,4-difluorophenyl)-3,3,3-trifluoropropan-1-amine
CID 82534396
4-(3,4-difluorophenyl)-2,2-dimethyl-4-(methylamino)butanoic acid
CID 116953732
1,1-bis(3,4-difluorophenyl)pentan-3-one
CID 142067469
4-amino-3-(3,4-difluorophenyl)pentanoic acid
CID 66097703
methyl (3R)-3-amino-3-(3,4-difluorophenyl)propanoate
CID 29059566
(2S)-2-amino-N-[1-(3,4-difluorophenyl)ethyl]-3,3-dimethylbutanamide;hydrochloride
CID 119686370
ethyl (3S)-3-amino-3-(3,4-difluorophenyl)propanoate;hydrochloride
CID 171229658

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-difluorophenyl)-4,4-dimethylpentanamide?
The IUPAC name of 3-(3,4-difluorophenyl)-4,4-dimethylpentanamide (CID 82084654) is 3-(3,4-difluorophenyl)-4,4-dimethylpentanamide.
What is the SMILES notation for 3-(3,4-difluorophenyl)-4,4-dimethylpentanamide?
The canonical SMILES for 3-(3,4-difluorophenyl)-4,4-dimethylpentanamide is CC(C)(C)C(CC(N)=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3-(3,4-difluorophenyl)-4,4-dimethylpentanamide?
The InChIKey is YPAXWLMWAQWTQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-13(2,3)9(7-12(16)17)8-4-5-10(14)11(15)6-8/h4-6,9H,7H2,1-3H3,(H2,16,17).
What are the key properties of 3-(3,4-difluorophenyl)-4,4-dimethylpentanamide?
3-(3,4-difluorophenyl)-4,4-dimethylpentanamide has a molecular weight of 241.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-difluorophenyl)-4,4-dimethylpentanamide is sourced from PubChem (CID 82084654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).