3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide

C11H10F3NO — CID 174876774

IUPAC3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide
SMILESC=C(C)c1cccc(C(N)=O)c1C(F)(F)F
InChIInChI=1S/C11H10F3NO/c1-6(2)7-4-3-5-8(10(15)16)9(7)11(12,13)14/h3-5H,1H2,2H3,(H2,15,16)
InChIKeyJTRHMRFVWOFXBF-UHFFFAOYSA-N
MW229.20 g/mol
LogP2.84
Rot. Bonds2

About 3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide

3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide (PubChem CID 174876774) has the molecular formula C11H10F3NO and a molecular weight of 229.20 g/mol. Its IUPAC name is 3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide
PubChem CID174876774
Molecular FormulaC11H10F3NO
Molecular Weight229.20 g/mol
Exact Mass229.07
IUPAC Name3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide
SMILESC=C(C)c1cccc(C(N)=O)c1C(F)(F)F
InChIInChI=1S/C11H10F3NO/c1-6(2)7-4-3-5-8(10(15)16)9(7)11(12,13)14/h3-5H,1H2,2H3,(H2,15,16)
InChIKeyJTRHMRFVWOFXBF-UHFFFAOYSA-N
XLogP2.84
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide?
The IUPAC name of 3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide (CID 174876774) is 3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide?
The canonical SMILES for 3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide is C=C(C)c1cccc(C(N)=O)c1C(F)(F)F.
What is the InChIKey of 3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide?
The InChIKey is JTRHMRFVWOFXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO/c1-6(2)7-4-3-5-8(10(15)16)9(7)11(12,13)14/h3-5H,1H2,2H3,(H2,15,16).
What are the key properties of 3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide?
3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide has a molecular weight of 229.20 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-1-en-2-yl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 174876774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).