2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid

C10H7F3O2 — CID 117266986

IUPAC2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
SMILESC=C(C(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H7F3O2/c1-6(9(14)15)7-4-2-3-5-8(7)10(11,12)13/h2-5H,1H2,(H,14,15)
InChIKeyFIKVSALYMAFTAC-UHFFFAOYSA-N
MW216.16 g/mol
LogP2.80
Rot. Bonds2

About 2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid

2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid (PubChem CID 117266986) has the molecular formula C10H7F3O2 and a molecular weight of 216.16 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
PubChem CID117266986
Molecular FormulaC10H7F3O2
Molecular Weight216.16 g/mol
Exact Mass216.04
IUPAC Name2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid
SMILESC=C(C(=O)O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H7F3O2/c1-6(9(14)15)7-4-2-3-5-8(7)10(11,12)13/h2-5H,1H2,(H,14,15)
InChIKeyFIKVSALYMAFTAC-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[2-fluoro-3-phenyl-4-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 22387545
2-[2-(acetylsulfanylmethyl)-3-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 139662794
2-[2-[2-(1-carboxyethenyl)phenyl]phenyl]prop-2-enoic acid
CID 91538841
potassium 2-(trifluoromethyl)benzoate
CID 162538888
N-methyl-2-(trifluoromethyl)benzamide
CID 4216112
methyl 2-(trifluoromethyl)benzoate
CID 2775578
1-cyanoethenyl 2-(trifluoromethyl)benzoate
CID 154449158
lithium;hydride;phenylphosphanyl-[2-(trifluoromethyl)phenyl]methanone
CID 174384467
[2-[2-(trifluoromethyl)benzoyl]oxyphenyl] 2-(trifluoromethyl)benzoate
CID 91726256
cyclopropyl-[2-(trifluoromethyl)phenyl]methanone
CID 24724101
1-[2-(trifluoromethyl)phenyl]but-3-yn-1-one
CID 114962023
N',N'-diphenyl-2-(trifluoromethyl)benzohydrazide
CID 51537446

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid?
The IUPAC name of 2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid (CID 117266986) is 2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for 2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid?
The canonical SMILES for 2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid is C=C(C(=O)O)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid?
The InChIKey is FIKVSALYMAFTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O2/c1-6(9(14)15)7-4-2-3-5-8(7)10(11,12)13/h2-5H,1H2,(H,14,15).
What are the key properties of 2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid?
2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid has a molecular weight of 216.16 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 117266986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).