(2,3-dichlorophenyl) 2-fluorobenzoate

C13H7Cl2FO2 — CID 91711756

IUPAC(2,3-dichlorophenyl) 2-fluorobenzoate
SMILESO=C(Oc1cccc(Cl)c1Cl)c1ccccc1F
InChIInChI=1S/C13H7Cl2FO2/c14-9-5-3-7-11(12(9)15)18-13(17)8-4-1-2-6-10(8)16/h1-7H
InChIKeyRQKCTVQPWOQSCG-UHFFFAOYSA-N
MW285.10 g/mol
LogP4.35
Rot. Bonds2

About (2,3-dichlorophenyl) 2-fluorobenzoate

(2,3-dichlorophenyl) 2-fluorobenzoate (PubChem CID 91711756) has the molecular formula C13H7Cl2FO2 and a molecular weight of 285.10 g/mol. Its IUPAC name is (2,3-dichlorophenyl) 2-fluorobenzoate.

Molecular Properties

Compound Name(2,3-dichlorophenyl) 2-fluorobenzoate
PubChem CID91711756
Molecular FormulaC13H7Cl2FO2
Molecular Weight285.10 g/mol
Exact Mass283.98
IUPAC Name(2,3-dichlorophenyl) 2-fluorobenzoate
SMILESO=C(Oc1cccc(Cl)c1Cl)c1ccccc1F
InChIInChI=1S/C13H7Cl2FO2/c14-9-5-3-7-11(12(9)15)18-13(17)8-4-1-2-6-10(8)16/h1-7H
InChIKeyRQKCTVQPWOQSCG-UHFFFAOYSA-N
XLogP4.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.10
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,3-dichlorophenyl) 2-fluorobenzoate?
The IUPAC name of (2,3-dichlorophenyl) 2-fluorobenzoate (CID 91711756) is (2,3-dichlorophenyl) 2-fluorobenzoate.
What is the SMILES notation for (2,3-dichlorophenyl) 2-fluorobenzoate?
The canonical SMILES for (2,3-dichlorophenyl) 2-fluorobenzoate is O=C(Oc1cccc(Cl)c1Cl)c1ccccc1F.
What is the InChIKey of (2,3-dichlorophenyl) 2-fluorobenzoate?
The InChIKey is RQKCTVQPWOQSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2FO2/c14-9-5-3-7-11(12(9)15)18-13(17)8-4-1-2-6-10(8)16/h1-7H.
What are the key properties of (2,3-dichlorophenyl) 2-fluorobenzoate?
(2,3-dichlorophenyl) 2-fluorobenzoate has a molecular weight of 285.10 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dichlorophenyl) 2-fluorobenzoate is sourced from PubChem (CID 91711756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).