(2,3-dichlorophenyl) 3,4-difluorobenzoate

C13H6Cl2F2O2 — CID 91717059

IUPAC(2,3-dichlorophenyl) 3,4-difluorobenzoate
SMILESO=C(Oc1cccc(Cl)c1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C13H6Cl2F2O2/c14-8-2-1-3-11(12(8)15)19-13(18)7-4-5-9(16)10(17)6-7/h1-6H
InChIKeyRBRIDYOETRCBIO-UHFFFAOYSA-N
MW303.09 g/mol
LogP4.49
Rot. Bonds2

About (2,3-dichlorophenyl) 3,4-difluorobenzoate

(2,3-dichlorophenyl) 3,4-difluorobenzoate (PubChem CID 91717059) has the molecular formula C13H6Cl2F2O2 and a molecular weight of 303.09 g/mol. Its IUPAC name is (2,3-dichlorophenyl) 3,4-difluorobenzoate.

Molecular Properties

Compound Name(2,3-dichlorophenyl) 3,4-difluorobenzoate
PubChem CID91717059
Molecular FormulaC13H6Cl2F2O2
Molecular Weight303.09 g/mol
Exact Mass301.97
IUPAC Name(2,3-dichlorophenyl) 3,4-difluorobenzoate
SMILESO=C(Oc1cccc(Cl)c1Cl)c1ccc(F)c(F)c1
InChIInChI=1S/C13H6Cl2F2O2/c14-8-2-1-3-11(12(8)15)19-13(18)7-4-5-9(16)10(17)6-7/h1-6H
InChIKeyRBRIDYOETRCBIO-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.09
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2,3-dichlorophenyl) 3,4-difluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,3-dichlorophenyl) 4-(trifluoromethyl)benzoate
CID 91726267
(2,3-dichlorophenyl) 2-fluorobenzoate
CID 91711756
(2,3-dichlorophenyl) 4-ethylbenzoate
CID 91714670
(2,4-dichloronaphthalen-1-yl) 3,4-difluorobenzoate
CID 91717061
3,4-difluorobenzenecarboperoxoic acid
CID 171800921
(2,3-dichlorophenyl) 2,3-dichlorobenzoate
CID 68641846
3-O-(2,3-dichlorophenyl) 1-O-propyl benzene-1,3-dicarboxylate
CID 91730781
1-O-(2,3-dichlorophenyl) 5-O-(2,3,4-trifluorophenyl) pentanedioate
CID 91738261
(2,4-dichlorophenyl) 3-chlorobenzoate
CID 23011226
(3,4-difluorophenyl) 2,6-dichlorobenzoate
CID 54207738
(2,3-dichlorophenyl) 4-(morpholin-4-ylmethyl)benzoate
CID 9045977
(2-hydroxyphenyl) 3-chlorobenzoate
CID 4525221

Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl) 3,4-difluorobenzoate?
The IUPAC name of (2,3-dichlorophenyl) 3,4-difluorobenzoate (CID 91717059) is (2,3-dichlorophenyl) 3,4-difluorobenzoate.
What is the SMILES notation for (2,3-dichlorophenyl) 3,4-difluorobenzoate?
The canonical SMILES for (2,3-dichlorophenyl) 3,4-difluorobenzoate is O=C(Oc1cccc(Cl)c1Cl)c1ccc(F)c(F)c1.
What is the InChIKey of (2,3-dichlorophenyl) 3,4-difluorobenzoate?
The InChIKey is RBRIDYOETRCBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F2O2/c14-8-2-1-3-11(12(8)15)19-13(18)7-4-5-9(16)10(17)6-7/h1-6H.
What are the key properties of (2,3-dichlorophenyl) 3,4-difluorobenzoate?
(2,3-dichlorophenyl) 3,4-difluorobenzoate has a molecular weight of 303.09 g/mol, XLogP of 4.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl) 3,4-difluorobenzoate is sourced from PubChem (CID 91717059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).