2-fluoro-3-(2,3,4,5-tetrachlorophenyl)prop-2-enoic acid

C9H3Cl4FO2 — CID 154167976

IUPAC2-fluoro-3-(2,3,4,5-tetrachlorophenyl)prop-2-enoic acid
SMILESO=C(O)C(F)=Cc1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C9H3Cl4FO2/c10-4-1-3(2-5(14)9(15)16)6(11)8(13)7(4)12/h1-2H,(H,15,16)
InChIKeySUTZFJJSHJRTJY-UHFFFAOYSA-N
MW303.93 g/mol
LogP4.70
Rot. Bonds2

About 2-fluoro-3-(2,3,4,5-tetrachlorophenyl)prop-2-enoic acid

2-fluoro-3-(2,3,4,5-tetrachlorophenyl)prop-2-enoic acid (PubChem CID 154167976) has the molecular formula C9H3Cl4FO2 and a molecular weight of 303.93 g/mol. Its IUPAC name is 2-fluoro-3-(2,3,4,5-tetrachlorophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name2-fluoro-3-(2,3,4,5-tetrachlorophenyl)prop-2-enoic acid
PubChem CID154167976
Molecular FormulaC9H3Cl4FO2
Molecular Weight303.93 g/mol
Exact Mass301.89
IUPAC Name2-fluoro-3-(2,3,4,5-tetrachlorophenyl)prop-2-enoic acid
SMILESO=C(O)C(F)=Cc1cc(Cl)c(Cl)c(Cl)c1Cl
InChIInChI=1S/C9H3Cl4FO2/c10-4-1-3(2-5(14)9(15)16)6(11)8(13)7(4)12/h1-2H,(H,15,16)
InChIKeySUTZFJJSHJRTJY-UHFFFAOYSA-N
XLogP4.70
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.93
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-fluoro-3-(2,3,4,5-tetrachlorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-(2,3,4,5-tetrachlorophenyl)prop-2-enoic acid?
The IUPAC name of 2-fluoro-3-(2,3,4,5-tetrachlorophenyl)prop-2-enoic acid (CID 154167976) is 2-fluoro-3-(2,3,4,5-tetrachlorophenyl)prop-2-enoic acid.
What is the SMILES notation for 2-fluoro-3-(2,3,4,5-tetrachlorophenyl)prop-2-enoic acid?
The canonical SMILES for 2-fluoro-3-(2,3,4,5-tetrachlorophenyl)prop-2-enoic acid is O=C(O)C(F)=Cc1cc(Cl)c(Cl)c(Cl)c1Cl.
What is the InChIKey of 2-fluoro-3-(2,3,4,5-tetrachlorophenyl)prop-2-enoic acid?
The InChIKey is SUTZFJJSHJRTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl4FO2/c10-4-1-3(2-5(14)9(15)16)6(11)8(13)7(4)12/h1-2H,(H,15,16).
What are the key properties of 2-fluoro-3-(2,3,4,5-tetrachlorophenyl)prop-2-enoic acid?
2-fluoro-3-(2,3,4,5-tetrachlorophenyl)prop-2-enoic acid has a molecular weight of 303.93 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-(2,3,4,5-tetrachlorophenyl)prop-2-enoic acid is sourced from PubChem (CID 154167976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).