(Z)-3-(2,3-difluorophenyl)pent-2-enoic acid

C11H10F2O2 — CID 67458775

IUPAC(Z)-3-(2,3-difluorophenyl)pent-2-enoic acid
SMILESCC/C(=C/C(=O)O)c1cccc(F)c1F
InChIInChI=1S/C11H10F2O2/c1-2-7(6-10(14)15)8-4-3-5-9(12)11(8)13/h3-6H,2H2,1H3,(H,14,15)/b7-6-
InChIKeyGBFJXVTXPXAFCE-SREVYHEPSA-N
MW212.20 g/mol
LogP2.84
Rot. Bonds3

About (Z)-3-(2,3-difluorophenyl)pent-2-enoic acid

(Z)-3-(2,3-difluorophenyl)pent-2-enoic acid (PubChem CID 67458775) has the molecular formula C11H10F2O2 and a molecular weight of 212.20 g/mol. Its IUPAC name is (Z)-3-(2,3-difluorophenyl)pent-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(2,3-difluorophenyl)pent-2-enoic acid
PubChem CID67458775
Molecular FormulaC11H10F2O2
Molecular Weight212.20 g/mol
Exact Mass212.06
IUPAC Name(Z)-3-(2,3-difluorophenyl)pent-2-enoic acid
SMILESCC/C(=C/C(=O)O)c1cccc(F)c1F
InChIInChI=1S/C11H10F2O2/c1-2-7(6-10(14)15)8-4-3-5-9(12)11(8)13/h3-6H,2H2,1H3,(H,14,15)/b7-6-
InChIKeyGBFJXVTXPXAFCE-SREVYHEPSA-N
XLogP2.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 52.84
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-(2,3-dimethylphenyl)pent-2-enoic acid
CID 82076954
1-(2,3-difluorophenyl)propan-1-one;ethane
CID 158876194
(E)-3-[4-(2-fluorophenyl)phenyl]pent-2-enoic acid
CID 82544074
3-(1,4-benzodioxin-5-yl)pent-2-enoic acid
CID 57196993
(E)-3-(2,3-diethoxyphenyl)pent-2-enoic acid
CID 83950039
methyl (Z)-3-(2,3-difluorophenyl)-3-hydroxyprop-2-enoate
CID 82017652
ethyl 2,3-difluorobenzoate
CID 2761174
acetyl 2,3-difluorobenzoate
CID 150014142
(E)-3-(2-fluorophenyl)but-2-enoic acid
CID 28791499
1-(2,3-difluorophenyl)-3-ethylpentan-1-one
CID 115795198
2,3-difluoro-N-(3-methylbut-2-enyl)benzamide
CID 103528227
4-[(E)-1-carboxybut-1-en-2-yl]benzoic acid
CID 83959454

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,3-difluorophenyl)pent-2-enoic acid?
The IUPAC name of (Z)-3-(2,3-difluorophenyl)pent-2-enoic acid (CID 67458775) is (Z)-3-(2,3-difluorophenyl)pent-2-enoic acid.
What is the SMILES notation for (Z)-3-(2,3-difluorophenyl)pent-2-enoic acid?
The canonical SMILES for (Z)-3-(2,3-difluorophenyl)pent-2-enoic acid is CC/C(=C/C(=O)O)c1cccc(F)c1F.
What is the InChIKey of (Z)-3-(2,3-difluorophenyl)pent-2-enoic acid?
The InChIKey is GBFJXVTXPXAFCE-SREVYHEPSA-N. The full InChI is InChI=1S/C11H10F2O2/c1-2-7(6-10(14)15)8-4-3-5-9(12)11(8)13/h3-6H,2H2,1H3,(H,14,15)/b7-6-.
What are the key properties of (Z)-3-(2,3-difluorophenyl)pent-2-enoic acid?
(Z)-3-(2,3-difluorophenyl)pent-2-enoic acid has a molecular weight of 212.20 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,3-difluorophenyl)pent-2-enoic acid is sourced from PubChem (CID 67458775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).