N-(3,4-difluoro-5-methylphenyl)-2,2-difluoroacetamide

C9H7F4NO — CID 165403947

IUPACN-(3,4-difluoro-5-methylphenyl)-2,2-difluoroacetamide
SMILESCc1cc(NC(=O)C(F)F)cc(F)c1F
InChIInChI=1S/C9H7F4NO/c1-4-2-5(3-6(10)7(4)11)14-9(15)8(12)13/h2-3,8H,1H3,(H,14,15)
InChIKeyAPENDFAFNVIQHC-UHFFFAOYSA-N
MW221.15 g/mol
LogP2.48
Rot. Bonds2

About N-(3,4-difluoro-5-methylphenyl)-2,2-difluoroacetamide

N-(3,4-difluoro-5-methylphenyl)-2,2-difluoroacetamide (PubChem CID 165403947) has the molecular formula C9H7F4NO and a molecular weight of 221.15 g/mol. Its IUPAC name is N-(3,4-difluoro-5-methylphenyl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(3,4-difluoro-5-methylphenyl)-2,2-difluoroacetamide
PubChem CID165403947
Molecular FormulaC9H7F4NO
Molecular Weight221.15 g/mol
Exact Mass221.05
IUPAC NameN-(3,4-difluoro-5-methylphenyl)-2,2-difluoroacetamide
SMILESCc1cc(NC(=O)C(F)F)cc(F)c1F
InChIInChI=1S/C9H7F4NO/c1-4-2-5(3-6(10)7(4)11)14-9(15)8(12)13/h2-3,8H,1H3,(H,14,15)
InChIKeyAPENDFAFNVIQHC-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.15
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107646145
(4-fluoro-3,5-dimethylphenyl)carbamic acid
CID 175535904
4-[(2,2-difluoroacetyl)amino]-2-methylbenzoic acid
CID 103513243
4-fluoro-2-methyl-N-(3,4,5-trifluorophenyl)benzamide
CID 115745629
N-(4-fluoro-3-methylphenyl)-2-hydroxypropanamide
CID 115140347
N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
CID 113220904
3-amino-2-methyl-3-sulfanylidene-N-(3,4,5-trifluorophenyl)propanamide
CID 55119171
5-[(2,2-difluoroacetyl)amino]-2-methylbenzoic acid
CID 103513291
2-amino-N-(3,4,5-trifluorophenyl)pentanamide
CID 62814039
2-chloro-2-phenyl-N-(3,4,5-trifluorophenyl)acetamide
CID 62811265
N-[3-(dimethylamino)-4-methylphenyl]-2,2-difluoroacetamide
CID 103515923
2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide
CID 62813194

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluoro-5-methylphenyl)-2,2-difluoroacetamide?
The IUPAC name of N-(3,4-difluoro-5-methylphenyl)-2,2-difluoroacetamide (CID 165403947) is N-(3,4-difluoro-5-methylphenyl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(3,4-difluoro-5-methylphenyl)-2,2-difluoroacetamide?
The canonical SMILES for N-(3,4-difluoro-5-methylphenyl)-2,2-difluoroacetamide is Cc1cc(NC(=O)C(F)F)cc(F)c1F.
What is the InChIKey of N-(3,4-difluoro-5-methylphenyl)-2,2-difluoroacetamide?
The InChIKey is APENDFAFNVIQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F4NO/c1-4-2-5(3-6(10)7(4)11)14-9(15)8(12)13/h2-3,8H,1H3,(H,14,15).
What are the key properties of N-(3,4-difluoro-5-methylphenyl)-2,2-difluoroacetamide?
N-(3,4-difluoro-5-methylphenyl)-2,2-difluoroacetamide has a molecular weight of 221.15 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluoro-5-methylphenyl)-2,2-difluoroacetamide is sourced from PubChem (CID 165403947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).