(Z)-2-fluoro-3-(2,3,6-trichlorophenyl)prop-2-enoic acid

C9H4Cl3FO2 — CID 79726038

IUPAC(Z)-2-fluoro-3-(2,3,6-trichlorophenyl)prop-2-enoic acid
SMILESO=C(O)/C(F)=C/c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C9H4Cl3FO2/c10-5-1-2-6(11)8(12)4(5)3-7(13)9(14)15/h1-3H,(H,14,15)/b7-3-
InChIKeyBOOKIPHFORTTKB-CLTKARDFSA-N
MW269.49 g/mol
LogP4.04
Rot. Bonds2

About (Z)-2-fluoro-3-(2,3,6-trichlorophenyl)prop-2-enoic acid

(Z)-2-fluoro-3-(2,3,6-trichlorophenyl)prop-2-enoic acid (PubChem CID 79726038) has the molecular formula C9H4Cl3FO2 and a molecular weight of 269.49 g/mol. Its IUPAC name is (Z)-2-fluoro-3-(2,3,6-trichlorophenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-2-fluoro-3-(2,3,6-trichlorophenyl)prop-2-enoic acid
PubChem CID79726038
Molecular FormulaC9H4Cl3FO2
Molecular Weight269.49 g/mol
Exact Mass267.93
IUPAC Name(Z)-2-fluoro-3-(2,3,6-trichlorophenyl)prop-2-enoic acid
SMILESO=C(O)/C(F)=C/c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C9H4Cl3FO2/c10-5-1-2-6(11)8(12)4(5)3-7(13)9(14)15/h1-3H,(H,14,15)/b7-3-
InChIKeyBOOKIPHFORTTKB-CLTKARDFSA-N
XLogP4.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.49
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-3-(2,3,6-trichlorophenyl)prop-2-enoic acid?
The IUPAC name of (Z)-2-fluoro-3-(2,3,6-trichlorophenyl)prop-2-enoic acid (CID 79726038) is (Z)-2-fluoro-3-(2,3,6-trichlorophenyl)prop-2-enoic acid.
What is the SMILES notation for (Z)-2-fluoro-3-(2,3,6-trichlorophenyl)prop-2-enoic acid?
The canonical SMILES for (Z)-2-fluoro-3-(2,3,6-trichlorophenyl)prop-2-enoic acid is O=C(O)/C(F)=C/c1c(Cl)ccc(Cl)c1Cl.
What is the InChIKey of (Z)-2-fluoro-3-(2,3,6-trichlorophenyl)prop-2-enoic acid?
The InChIKey is BOOKIPHFORTTKB-CLTKARDFSA-N. The full InChI is InChI=1S/C9H4Cl3FO2/c10-5-1-2-6(11)8(12)4(5)3-7(13)9(14)15/h1-3H,(H,14,15)/b7-3-.
What are the key properties of (Z)-2-fluoro-3-(2,3,6-trichlorophenyl)prop-2-enoic acid?
(Z)-2-fluoro-3-(2,3,6-trichlorophenyl)prop-2-enoic acid has a molecular weight of 269.49 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-3-(2,3,6-trichlorophenyl)prop-2-enoic acid is sourced from PubChem (CID 79726038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).