2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide

C11H11F2NO2 — CID 102107595

IUPAC2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide
SMILESCC(=O)C(F)(F)C(=O)Nc1ccccc1C
InChIInChI=1S/C11H11F2NO2/c1-7-5-3-4-6-9(7)14-10(16)11(12,13)8(2)15/h3-6H,1-2H3,(H,14,16)
InChIKeyRUKDYBFRYHQGER-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.16
Rot. Bonds3

About 2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide

2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide (PubChem CID 102107595) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide
PubChem CID102107595
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide
SMILESCC(=O)C(F)(F)C(=O)Nc1ccccc1C
InChIInChI=1S/C11H11F2NO2/c1-7-5-3-4-6-9(7)14-10(16)11(12,13)8(2)15/h3-6H,1-2H3,(H,14,16)
InChIKeyRUKDYBFRYHQGER-UHFFFAOYSA-N
XLogP2.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-2-methyl-N-(2-methylphenyl)propanamide
CID 130165272
N-(2-chlorophenyl)-2,2-difluoro-3-oxobutanamide
CID 102107601
2-chloro-3,3,3-trifluoro-N-(2-methylphenyl)-2-(trifluoromethyl)propanamide
CID 71672661
2-fluoro-2-methyl-3-(2-methylanilino)-3-oxopropanoic acid
CID 175308987
(2R)-2,3-dibromo-2-fluoro-N-(2-methylphenyl)propanamide
CID 131850393
2,2-difluoro-3-iodo-N-(2-methylphenyl)propanamide
CID 14154832
2-cyano-2-methyl-N-(2-methylphenyl)propanamide
CID 60778630
N-(2-methylphenyl)-2-oxopropanamide
CID 82125210
2-bromo-2-chloro-N-(2-methylphenyl)butanamide
CID 20511611
(2-methylphenyl)urea;phosphane
CID 175888509
N-(2-methylphenyl)-3-oxobutanamide
CID 7154
[2,4,5-triacetyloxy-1,6-bis(2-methylanilino)-1,6-dioxohexan-3-yl] acetate
CID 3518719

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide?
The IUPAC name of 2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide (CID 102107595) is 2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide.
What is the SMILES notation for 2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide?
The canonical SMILES for 2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide is CC(=O)C(F)(F)C(=O)Nc1ccccc1C.
What is the InChIKey of 2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide?
The InChIKey is RUKDYBFRYHQGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c1-7-5-3-4-6-9(7)14-10(16)11(12,13)8(2)15/h3-6H,1-2H3,(H,14,16).
What are the key properties of 2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide?
2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide has a molecular weight of 227.21 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(2-methylphenyl)-3-oxobutanamide is sourced from PubChem (CID 102107595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).