2,4,6-trifluoro-N-propylbenzamide

C10H10F3NO — CID 65100176

IUPAC2,4,6-trifluoro-N-propylbenzamide
SMILESCCCNC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H10F3NO/c1-2-3-14-10(15)9-7(12)4-6(11)5-8(9)13/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyCOXZUJPAWDRJLX-UHFFFAOYSA-N
MW217.19 g/mol
LogP2.24
Rot. Bonds3

About 2,4,6-trifluoro-N-propylbenzamide

2,4,6-trifluoro-N-propylbenzamide (PubChem CID 65100176) has the molecular formula C10H10F3NO and a molecular weight of 217.19 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-propylbenzamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-propylbenzamide
PubChem CID65100176
Molecular FormulaC10H10F3NO
Molecular Weight217.19 g/mol
Exact Mass217.07
IUPAC Name2,4,6-trifluoro-N-propylbenzamide
SMILESCCCNC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C10H10F3NO/c1-2-3-14-10(15)9-7(12)4-6(11)5-8(9)13/h4-5H,2-3H2,1H3,(H,14,15)
InChIKeyCOXZUJPAWDRJLX-UHFFFAOYSA-N
XLogP2.24
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,4,6-trifluoro-N-(2-oxopropyl)benzamide
CID 65098730
N-(3-aminobutyl)-2,4,6-trifluorobenzamide;hydrochloride
CID 119497329
2,4,6-trifluoro-N-(3-hydroxy-4-methylpentyl)benzamide
CID 111460515
ethyl 4-[(2,4,6-trifluorobenzoyl)amino]butanoate
CID 65100634
N-(6-bromohexyl)-2,4,6-trifluorobenzamide
CID 107847891
2,4,6-trifluoro-N-(5-iodopentyl)benzamide
CID 107322261
2,4,6-trifluoro-N-(5-hydroxy-4-methylpentyl)benzamide
CID 103861933
2,4-difluoro-6-hydroxy-N-(2-methoxyethyl)benzamide
CID 47465669
N-[2-ethyl-2-(hydroxymethyl)butyl]-2,4,6-trifluorobenzamide
CID 103843286
2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide
CID 65100894
4-bromo-2,5-difluoro-N-propylbenzamide
CID 146035179
N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzamide
CID 106139555

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-propylbenzamide?
The IUPAC name of 2,4,6-trifluoro-N-propylbenzamide (CID 65100176) is 2,4,6-trifluoro-N-propylbenzamide.
What is the SMILES notation for 2,4,6-trifluoro-N-propylbenzamide?
The canonical SMILES for 2,4,6-trifluoro-N-propylbenzamide is CCCNC(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-propylbenzamide?
The InChIKey is COXZUJPAWDRJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO/c1-2-3-14-10(15)9-7(12)4-6(11)5-8(9)13/h4-5H,2-3H2,1H3,(H,14,15).
What are the key properties of 2,4,6-trifluoro-N-propylbenzamide?
2,4,6-trifluoro-N-propylbenzamide has a molecular weight of 217.19 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-propylbenzamide is sourced from PubChem (CID 65100176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).