(Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid

C15H9F3O2 — CID 134627735

IUPAC(Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid
SMILESO=C(O)/C=C\c1cc(F)ccc1-c1cccc(F)c1F
InChIInChI=1S/C15H9F3O2/c16-10-5-6-11(9(8-10)4-7-14(19)20)12-2-1-3-13(17)15(12)18/h1-8H,(H,19,20)/b7-4-
InChIKeyNLDXZIMHKXJTJO-DAXSKMNVSA-N
MW278.23 g/mol
LogP3.87
Rot. Bonds3

About (Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid

(Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid (PubChem CID 134627735) has the molecular formula C15H9F3O2 and a molecular weight of 278.23 g/mol. Its IUPAC name is (Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid
PubChem CID134627735
Molecular FormulaC15H9F3O2
Molecular Weight278.23 g/mol
Exact Mass278.06
IUPAC Name(Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid
SMILESO=C(O)/C=C\c1cc(F)ccc1-c1cccc(F)c1F
InChIInChI=1S/C15H9F3O2/c16-10-5-6-11(9(8-10)4-7-14(19)20)12-2-1-3-13(17)15(12)18/h1-8H,(H,19,20)/b7-4-
InChIKeyNLDXZIMHKXJTJO-DAXSKMNVSA-N
XLogP3.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.23
LogP ≤ 53.87
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

(E)-3-[5-fluoro-2-(4-fluorophenyl)phenyl]prop-2-enoic acid
CID 46312483
(E)-3-(2,4-difluorophenyl)prop-2-enoic acid
CID 5374945
(E)-3-[5-fluoro-2-[3-(trifluoromethyl)phenyl]phenyl]prop-2-enoic acid
CID 134622161
3-(5-fluoro-2-pyridin-4-ylphenyl)prop-2-enoic acid
CID 75177433
3-(2-amino-5-fluorophenyl)prop-2-enoic acid
CID 123339785
3-(5-fluoro-2-formylphenyl)prop-2-enoic acid
CID 169460406
3-(4-fluoro-2-formylphenyl)prop-2-enoic acid
CID 169460407
3-[2-fluoro-4-(2-fluorophenyl)phenyl]prop-2-enoic acid
CID 75177363
(E)-3-[2-(3-fluorophenyl)-5-(trifluoromethyl)phenyl]prop-2-enoic acid
CID 46313346
3-(2-amino-4-fluorophenyl)prop-2-enoic acid
CID 169460317
2-(2,3-difluorophenyl)-4-fluorobenzamide
CID 134628957
methyl 2-(2,3-difluorophenyl)-5-fluorobenzoate
CID 134635148

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid?
The IUPAC name of (Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid (CID 134627735) is (Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid is O=C(O)/C=C\c1cc(F)ccc1-c1cccc(F)c1F.
What is the InChIKey of (Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid?
The InChIKey is NLDXZIMHKXJTJO-DAXSKMNVSA-N. The full InChI is InChI=1S/C15H9F3O2/c16-10-5-6-11(9(8-10)4-7-14(19)20)12-2-1-3-13(17)15(12)18/h1-8H,(H,19,20)/b7-4-.
What are the key properties of (Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid?
(Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid has a molecular weight of 278.23 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[2-(2,3-difluorophenyl)-5-fluorophenyl]prop-2-enoic acid is sourced from PubChem (CID 134627735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).