2-ethenyl-4-(trifluoromethyl)benzoic acid

C10H7F3O2 — CID 154659502

IUPAC2-ethenyl-4-(trifluoromethyl)benzoic acid
SMILESC=Cc1cc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C10H7F3O2/c1-2-6-5-7(10(11,12)13)3-4-8(6)9(14)15/h2-5H,1H2,(H,14,15)
InChIKeyYAEPWPBOBALDJV-UHFFFAOYSA-N
MW216.16 g/mol
LogP3.05
Rot. Bonds2

About 2-ethenyl-4-(trifluoromethyl)benzoic acid

2-ethenyl-4-(trifluoromethyl)benzoic acid (PubChem CID 154659502) has the molecular formula C10H7F3O2 and a molecular weight of 216.16 g/mol. Its IUPAC name is 2-ethenyl-4-(trifluoromethyl)benzoic acid.

Molecular Properties

Compound Name2-ethenyl-4-(trifluoromethyl)benzoic acid
PubChem CID154659502
Molecular FormulaC10H7F3O2
Molecular Weight216.16 g/mol
Exact Mass216.04
IUPAC Name2-ethenyl-4-(trifluoromethyl)benzoic acid
SMILESC=Cc1cc(C(F)(F)F)ccc1C(=O)O
InChIInChI=1S/C10H7F3O2/c1-2-6-5-7(10(11,12)13)3-4-8(6)9(14)15/h2-5H,1H2,(H,14,15)
InChIKeyYAEPWPBOBALDJV-UHFFFAOYSA-N
XLogP3.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.16
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-(4-carboxy-3-ethenylphenyl)propan-2-yl]-2-ethenylbenzoic acid
CID 139981573
2-ethenylterephthalic acid
CID 21087698
2-(4-hydroxybut-1-enyl)-4-(trifluoromethyl)benzoic acid
CID 170477459
2-(4-ethoxy-4-oxobut-1-enyl)-4-(trifluoromethyl)benzoic acid
CID 170797045
2-methoxy-4-(trifluoromethyl)benzoic acid
CID 3690873
2-(2-carboxy-5-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 173322333
4-tert-butyl-2-formylbenzoic acid
CID 170900961
2-nitro-4-(trifluoromethyl)benzoic acid
CID 642096
5-ethenyl-6-methyl-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 141151685
benzoic acid;2-ethenylbenzoic acid
CID 158841861
2-(4-fluorophenyl)-4-(trifluoromethyl)benzoic acid
CID 172648600
bis[2-ethenyl-4-(trifluoromethyl)phenyl]-dimethylsilane
CID 71659330

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-(trifluoromethyl)benzoic acid?
The IUPAC name of 2-ethenyl-4-(trifluoromethyl)benzoic acid (CID 154659502) is 2-ethenyl-4-(trifluoromethyl)benzoic acid.
What is the SMILES notation for 2-ethenyl-4-(trifluoromethyl)benzoic acid?
The canonical SMILES for 2-ethenyl-4-(trifluoromethyl)benzoic acid is C=Cc1cc(C(F)(F)F)ccc1C(=O)O.
What is the InChIKey of 2-ethenyl-4-(trifluoromethyl)benzoic acid?
The InChIKey is YAEPWPBOBALDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O2/c1-2-6-5-7(10(11,12)13)3-4-8(6)9(14)15/h2-5H,1H2,(H,14,15).
What are the key properties of 2-ethenyl-4-(trifluoromethyl)benzoic acid?
2-ethenyl-4-(trifluoromethyl)benzoic acid has a molecular weight of 216.16 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-(trifluoromethyl)benzoic acid is sourced from PubChem (CID 154659502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).