2-fluoro-N-(5,5,5-trifluoropentyl)benzamide

C12H13F4NO — CID 113322083

IUPAC2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
SMILESO=C(NCCCCC(F)(F)F)c1ccccc1F
InChIInChI=1S/C12H13F4NO/c13-10-6-2-1-5-9(10)11(18)17-8-4-3-7-12(14,15)16/h1-2,5-6H,3-4,7-8H2,(H,17,18)
InChIKeyGHXQONKTMCWBAX-UHFFFAOYSA-N
MW263.23 g/mol
LogP3.29
Rot. Bonds5

About 2-fluoro-N-(5,5,5-trifluoropentyl)benzamide

2-fluoro-N-(5,5,5-trifluoropentyl)benzamide (PubChem CID 113322083) has the molecular formula C12H13F4NO and a molecular weight of 263.23 g/mol. Its IUPAC name is 2-fluoro-N-(5,5,5-trifluoropentyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
PubChem CID113322083
Molecular FormulaC12H13F4NO
Molecular Weight263.23 g/mol
Exact Mass263.09
IUPAC Name2-fluoro-N-(5,5,5-trifluoropentyl)benzamide
SMILESO=C(NCCCCC(F)(F)F)c1ccccc1F
InChIInChI=1S/C12H13F4NO/c13-10-6-2-1-5-9(10)11(18)17-8-4-3-7-12(14,15)16/h1-2,5-6H,3-4,7-8H2,(H,17,18)
InChIKeyGHXQONKTMCWBAX-UHFFFAOYSA-N
XLogP3.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.23
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-fluoro-5-sulfanyl-N-(5,5,5-trifluoropentyl)benzamide
CID 107033370
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
2-fluoro-N-(4-phenylbutyl)benzamide
CID 2057513
N-(4-amino-4-sulfanylidenebutyl)-2-fluorobenzamide
CID 62666034
8-[(2-fluorobenzoyl)amino]octanoic acid;molecular hydrogen
CID 157344175
2-fluoro-N-(5-methylsulfanylpentyl)benzamide
CID 104920148
bis[3-[(2-fluorobenzoyl)amino]propyl]-methylazanium
CID 2203617
2-fluoro-N-(4-methylpentyl)benzamide
CID 60738338
2-bromo-4-chloro-N-(5,5,5-trifluoropentyl)benzamide
CID 103839346
5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 115514877
methyl 4-[(2-fluorobenzoyl)amino]butanoate
CID 60645325
2-(ethylamino)-N-(5,5,5-trifluoropentyl)pyridine-3-carboxamide
CID 115522135

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(5,5,5-trifluoropentyl)benzamide?
The IUPAC name of 2-fluoro-N-(5,5,5-trifluoropentyl)benzamide (CID 113322083) is 2-fluoro-N-(5,5,5-trifluoropentyl)benzamide.
What is the SMILES notation for 2-fluoro-N-(5,5,5-trifluoropentyl)benzamide?
The canonical SMILES for 2-fluoro-N-(5,5,5-trifluoropentyl)benzamide is O=C(NCCCCC(F)(F)F)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(5,5,5-trifluoropentyl)benzamide?
The InChIKey is GHXQONKTMCWBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F4NO/c13-10-6-2-1-5-9(10)11(18)17-8-4-3-7-12(14,15)16/h1-2,5-6H,3-4,7-8H2,(H,17,18).
What are the key properties of 2-fluoro-N-(5,5,5-trifluoropentyl)benzamide?
2-fluoro-N-(5,5,5-trifluoropentyl)benzamide has a molecular weight of 263.23 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(5,5,5-trifluoropentyl)benzamide is sourced from PubChem (CID 113322083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).