2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide

C9H8F3NO — CID 103515626

IUPAC2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide
SMILESCc1c(F)cccc1NC(=O)C(F)F
InChIInChI=1S/C9H8F3NO/c1-5-6(10)3-2-4-7(5)13-9(14)8(11)12/h2-4,8H,1H3,(H,13,14)
InChIKeyTZXZZODXEQHEFH-UHFFFAOYSA-N
MW203.16 g/mol
LogP2.34
Rot. Bonds2

About 2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide

2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide (PubChem CID 103515626) has the molecular formula C9H8F3NO and a molecular weight of 203.16 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide
PubChem CID103515626
Molecular FormulaC9H8F3NO
Molecular Weight203.16 g/mol
Exact Mass203.06
IUPAC Name2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide
SMILESCc1c(F)cccc1NC(=O)C(F)F
InChIInChI=1S/C9H8F3NO/c1-5-6(10)3-2-4-7(5)13-9(14)8(11)12/h2-4,8H,1H3,(H,13,14)
InChIKeyTZXZZODXEQHEFH-UHFFFAOYSA-N
XLogP2.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.16
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-fluoro-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498147
2-[(3-fluoro-2-methylphenyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116536988
1-(2,6-dimethylphenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860101
2-cyano-N-(3-fluoro-2-methylphenyl)-2-phenylacetamide
CID 62876848
(2S)-2-amino-N-(3-fluoro-2-methylphenyl)-4-phenylbutanamide
CID 104984259
N-(3-fluoro-2-methylphenyl)-N'-(1-hydroxypropan-2-yl)oxamide
CID 111521413
N-(3-fluoro-2-methylphenyl)-4-hydroxypentanamide
CID 79192494
1-(3-fluoro-2-methylphenyl)-3-(2,4,6-trimethylphenyl)urea
CID 46860092
1-(3,4-difluorophenyl)-3-(3-fluoro-2-methylphenyl)urea
CID 46860135
1-(3-fluoro-2-methylphenyl)-3-(oxolan-3-yl)urea
CID 113322039
1-(3-fluoro-2-methylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111521359
3-amino-N-(3-fluoro-2-methylphenyl)-3-methylbutanamide
CID 64678036

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide?
The IUPAC name of 2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide (CID 103515626) is 2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide is Cc1c(F)cccc1NC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide?
The InChIKey is TZXZZODXEQHEFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO/c1-5-6(10)3-2-4-7(5)13-9(14)8(11)12/h2-4,8H,1H3,(H,13,14).
What are the key properties of 2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide?
2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide has a molecular weight of 203.16 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-fluoro-2-methylphenyl)acetamide is sourced from PubChem (CID 103515626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).