(Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid

C16H11F3O2 — CID 43244487

IUPAC(Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H11F3O2/c17-16(18,19)13-8-6-11(7-9-13)10-14(15(20)21)12-4-2-1-3-5-12/h1-10H,(H,20,21)/b14-10-
InChIKeyJWCLEZSKGSMLLB-UVTDQMKNSA-N
MW292.26 g/mol
LogP4.33
Rot. Bonds3

About (Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid

(Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid (PubChem CID 43244487) has the molecular formula C16H11F3O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is (Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
PubChem CID43244487
Molecular FormulaC16H11F3O2
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Name(Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid
SMILESO=C(O)/C(=C\c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C16H11F3O2/c17-16(18,19)13-8-6-11(7-9-13)10-14(15(20)21)12-4-2-1-3-5-12/h1-10H,(H,20,21)/b14-10-
InChIKeyJWCLEZSKGSMLLB-UVTDQMKNSA-N
XLogP4.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(4-tert-butylphenyl)-2-phenylprop-2-enoic acid
CID 43344010
(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
(E)-2-phenyl-3-phenylprop-2-enoic acid;yttrium
CID 59041030
(Z)-2-isothiocyanato-1-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 66575207
(Z)-3-(4-acetyloxyphenyl)-2-phenylprop-2-enoic acid
CID 102239549
CID 161391832
CID 161391832
1-phenyl-2-[[4-(trifluoromethyl)phenyl]methylidene]heptan-1-one
CID 162351580
2-benzylidene-N,N'-bis[4-(trifluoromethyl)phenyl]propanediamide
CID 5236437
(Z)-2,3-bis(4-chlorophenyl)prop-2-enoic acid
CID 6276844
(E)-3-(4-fluorophenyl)-1,2-diphenylprop-2-en-1-one
CID 5388476
3-(3,5-dimethylphenyl)-2-phenylprop-2-enoic acid
CID 76916002
4-[(Z)-2-carboxy-2-(4-chlorophenyl)ethenyl]benzoic acid
CID 83955767

Frequently Asked Questions

What is the IUPAC name of (Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid (CID 43244487) is (Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid is O=C(O)/C(=C\c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of (Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid?
The InChIKey is JWCLEZSKGSMLLB-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H11F3O2/c17-16(18,19)13-8-6-11(7-9-13)10-14(15(20)21)12-4-2-1-3-5-12/h1-10H,(H,20,21)/b14-10-.
What are the key properties of (Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid?
(Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid has a molecular weight of 292.26 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-enoic acid is sourced from PubChem (CID 43244487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).