(E)-3-[4-(trifluoromethyl)phenyl](214C)prop-2-enoic acid

C10H7F3O2 — CID 11579417

IUPAC(E)-3-[4-(trifluoromethyl)phenyl](214C)prop-2-enoic acid
SMILESO=C(O)/[14CH]=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H7F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+/i6+2
InChIKeyANRMAUMHJREENI-PKWLCEBMSA-N
MW218.15 g/mol
LogP2.80
Rot. Bonds2

About (E)-3-[4-(trifluoromethyl)phenyl](214C)prop-2-enoic acid

(E)-3-[4-(trifluoromethyl)phenyl](214C)prop-2-enoic acid (PubChem CID 11579417) has the molecular formula C10H7F3O2 and a molecular weight of 218.15 g/mol. Its IUPAC name is (E)-3-[4-(trifluoromethyl)phenyl](214C)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[4-(trifluoromethyl)phenyl](214C)prop-2-enoic acid
PubChem CID11579417
Molecular FormulaC10H7F3O2
Molecular Weight218.15 g/mol
Exact Mass218.04
IUPAC Name(E)-3-[4-(trifluoromethyl)phenyl](214C)prop-2-enoic acid
SMILESO=C(O)/[14CH]=C/c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C10H7F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+/i6+2
InChIKeyANRMAUMHJREENI-PKWLCEBMSA-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 ≤ 500218.15
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3-[4-(trifluoromethyl)phenyl](214C)prop-2-enoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 43244487
1-(trifluoromethyl)-4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 11758889
(E)-1-methoxy-4-[4-(trifluoromethyl)phenyl]but-3-en-2-one
CID 102459636
CID 161391832
CID 161391832
3-methyl-5-[4-(trifluoromethyl)phenyl]penta-2,4-dienoic acid
CID 173277317
2-[4-(trifluoromethyl)phenoxy]but-2-enoic acid
CID 154384674
(Z)-2-hydroxy-4-[4-(trifluoromethyl)phenyl]but-2-enoic acid
CID 115007362
(E)-2-oxo-4-[4-(trifluoromethyl)phenyl]but-3-enamide
CID 117061556
4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 53329765
[(E)-3-[4-(trifluoromethyl)phenyl]prop-2-enyl] acetate
CID 91998712
(Z)-4-[4-[(Z)-3-oxo-2-[4-(trifluoromethyl)phenyl]but-1-enyl]phenyl]-3-[4-(trifluoromethyl)phenyl]but-3-en-2-one
CID 90047932
1-[(E)-2-nitrosoprop-1-enyl]-4-(trifluoromethyl)benzene
CID 166931724

Frequently Asked Questions

What is the IUPAC name of (E)-3-[4-(trifluoromethyl)phenyl](214C)prop-2-enoic acid?
The IUPAC name of (E)-3-[4-(trifluoromethyl)phenyl](214C)prop-2-enoic acid (CID 11579417) is (E)-3-[4-(trifluoromethyl)phenyl](214C)prop-2-enoic acid.
What is the SMILES notation for (E)-3-[4-(trifluoromethyl)phenyl](214C)prop-2-enoic acid?
The canonical SMILES for (E)-3-[4-(trifluoromethyl)phenyl](214C)prop-2-enoic acid is O=C(O)/[14CH]=C/c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (E)-3-[4-(trifluoromethyl)phenyl](214C)prop-2-enoic acid?
The InChIKey is ANRMAUMHJREENI-PKWLCEBMSA-N. The full InChI is InChI=1S/C10H7F3O2/c11-10(12,13)8-4-1-7(2-5-8)3-6-9(14)15/h1-6H,(H,14,15)/b6-3+/i6+2.
What are the key properties of (E)-3-[4-(trifluoromethyl)phenyl](214C)prop-2-enoic acid?
(E)-3-[4-(trifluoromethyl)phenyl](214C)prop-2-enoic acid has a molecular weight of 218.15 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 (E)-3-[4-(trifluoromethyl)phenyl](214C)prop-2-enoic acid is sourced from PubChem (CID 11579417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).