2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide

C10H9F4NO — CID 62510396

IUPAC2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(F)c(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C10H9F4NO/c1-6-2-3-8(11)7(4-6)9(16)15-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyOHHQJUOWEYIEMT-UHFFFAOYSA-N
MW235.18 g/mol
LogP2.43
Rot. Bonds2

About 2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide

2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 62510396) has the molecular formula C10H9F4NO and a molecular weight of 235.18 g/mol. Its IUPAC name is 2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID62510396
Molecular FormulaC10H9F4NO
Molecular Weight235.18 g/mol
Exact Mass235.06
IUPAC Name2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
SMILESCc1ccc(F)c(C(=O)NCC(F)(F)F)c1
InChIInChI=1S/C10H9F4NO/c1-6-2-3-8(11)7(4-6)9(16)15-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16)
InChIKeyOHHQJUOWEYIEMT-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.18
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-bromo-2,2-dimethylpropyl)-2-fluoro-5-methylbenzamide
CID 115364948
2,4-dimethyl-N-(2,2,2-trifluoroethyl)benzamide
CID 78785997
2-hydrazinyl-5-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 62509922
N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-methylbenzamide
CID 113245162
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-fluoro-5-methylbenzamide
CID 103839903
N-(2-amino-2-oxoethyl)-2-fluoro-5-methylbenzamide
CID 62511254
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
2-fluoro-5-sulfamoyl-N-(2,2,2-trifluoroethyl)benzamide
CID 60638089
2,2,2-trifluoro-1-(2-fluoro-5-methylphenyl)ethanone
CID 62961335
2-fluoro-5-methyl-N-[2-(propan-2-ylamino)ethyl]benzamide
CID 62659559
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-fluoro-5-methylbenzamide
CID 111479170

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide (CID 62510396) is 2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide is Cc1ccc(F)c(C(=O)NCC(F)(F)F)c1.
What is the InChIKey of 2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is OHHQJUOWEYIEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO/c1-6-2-3-8(11)7(4-6)9(16)15-5-10(12,13)14/h2-4H,5H2,1H3,(H,15,16).
What are the key properties of 2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide?
2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 235.18 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 62510396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).