2,4,6-trifluoro-N-(2-oxopropyl)benzamide

C10H8F3NO2 — CID 65098730

IUPAC2,4,6-trifluoro-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H8F3NO2/c1-5(15)4-14-10(16)9-7(12)2-6(11)3-8(9)13/h2-3H,4H2,1H3,(H,14,16)
InChIKeyJQRVWVXYGYMUPC-UHFFFAOYSA-N
MW231.17 g/mol
LogP1.42
Rot. Bonds3

About 2,4,6-trifluoro-N-(2-oxopropyl)benzamide

2,4,6-trifluoro-N-(2-oxopropyl)benzamide (PubChem CID 65098730) has the molecular formula C10H8F3NO2 and a molecular weight of 231.17 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(2-oxopropyl)benzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(2-oxopropyl)benzamide
PubChem CID65098730
Molecular FormulaC10H8F3NO2
Molecular Weight231.17 g/mol
Exact Mass231.05
IUPAC Name2,4,6-trifluoro-N-(2-oxopropyl)benzamide
SMILESCC(=O)CNC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H8F3NO2/c1-5(15)4-14-10(16)9-7(12)2-6(11)3-8(9)13/h2-3H,4H2,1H3,(H,14,16)
InChIKeyJQRVWVXYGYMUPC-UHFFFAOYSA-N
XLogP1.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-difluoro-N-(2-oxopropyl)benzamide
CID 64997120
2,4,6-trifluoro-N-propylbenzamide
CID 65100176
3,4,5-trifluoro-N-(2-oxopropyl)benzamide
CID 64997335
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide
CID 106139555
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide
CID 103843286
2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111460515
N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride
CID 119497329
2,4,6-trifluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 66108784
2,6-dihydroxy-N-(2-oxopropyl)benzamide
CID 107688759
N-[(2,4,6-trifluorophenyl)methyl]acetamide
CID 110477322
2,4,6-trifluoro-N-(5-iodopentyl)benzamide
CID 107322261

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(2-oxopropyl)benzamide?
The IUPAC name of 2,4,6-trifluoro-N-(2-oxopropyl)benzamide (CID 65098730) is 2,4,6-trifluoro-N-(2-oxopropyl)benzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-(2-oxopropyl)benzamide?
The canonical SMILES for 2,4,6-trifluoro-N-(2-oxopropyl)benzamide is CC(=O)CNC(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-(2-oxopropyl)benzamide?
The InChIKey is JQRVWVXYGYMUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3NO2/c1-5(15)4-14-10(16)9-7(12)2-6(11)3-8(9)13/h2-3H,4H2,1H3,(H,14,16).
What are the key properties of 2,4,6-trifluoro-N-(2-oxopropyl)benzamide?
2,4,6-trifluoro-N-(2-oxopropyl)benzamide has a molecular weight of 231.17 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-(2-oxopropyl)benzamide is sourced from PubChem (CID 65098730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).