2-chloro-4-(2,4-difluorophenyl)benzoate

C13H6ClF2O2- — CID 86307272

IUPAC2-chloro-4-(2,4-difluorophenyl)benzoate
SMILESO=C([O-])c1ccc(-c2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C13H7ClF2O2/c14-11-5-7(1-3-10(11)13(17)18)9-4-2-8(15)6-12(9)16/h1-6H,(H,17,18)/p-1
InChIKeyNGOXCNCEPVUSIG-UHFFFAOYSA-M
MW267.64 g/mol
LogP2.65
Rot. Bonds2

About 2-chloro-4-(2,4-difluorophenyl)benzoate

2-chloro-4-(2,4-difluorophenyl)benzoate (PubChem CID 86307272) has the molecular formula C13H6ClF2O2- and a molecular weight of 267.64 g/mol. Its IUPAC name is 2-chloro-4-(2,4-difluorophenyl)benzoate.

Molecular Properties

Compound Name2-chloro-4-(2,4-difluorophenyl)benzoate
PubChem CID86307272
Molecular FormulaC13H6ClF2O2-
Molecular Weight267.64 g/mol
Exact Mass267.00
IUPAC Name2-chloro-4-(2,4-difluorophenyl)benzoate
SMILESO=C([O-])c1ccc(-c2ccc(F)cc2F)cc1Cl
InChIInChI=1S/C13H7ClF2O2/c14-11-5-7(1-3-10(11)13(17)18)9-4-2-8(15)6-12(9)16/h1-6H,(H,17,18)/p-1
InChIKeyNGOXCNCEPVUSIG-UHFFFAOYSA-M
XLogP2.65
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.64
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-(3-fluorophenyl)benzoate
CID 86307112
1-[2-chloro-4-(4-chloro-2-fluorophenyl)phenyl]ethanone
CID 82782556
2-chloro-5-(2,4-difluorophenyl)phenol
CID 53221267
5-(2,4-difluorophenyl)-2-fluorobenzoic acid
CID 53211194
1-[5-(2,4-difluorophenyl)-2-fluorophenyl]ethanone
CID 175647195
2-chloro-4-(5-fluoro-2-hydroxyphenyl)benzoic acid
CID 53225722
4-fluorophthalate
CID 36688510
2-chloro-5-fluoro-4-(4-fluorophenyl)benzoyl chloride
CID 46314485
2-[5-(2-chloro-4-fluorophenyl)-2-fluorophenyl]acetic acid
CID 176548281
N-(3-chloro-4-fluorophenyl)-5-(2,4-difluorophenyl)-2-hydroxybenzamide
CID 175663537
bis[2-(4-chlorophenyl)-4-fluorophenyl]methanone
CID 70484247
(2,4-dichlorophenyl)-(2,4-difluorophenyl)methanone
CID 43159987

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2,4-difluorophenyl)benzoate?
The IUPAC name of 2-chloro-4-(2,4-difluorophenyl)benzoate (CID 86307272) is 2-chloro-4-(2,4-difluorophenyl)benzoate.
What is the SMILES notation for 2-chloro-4-(2,4-difluorophenyl)benzoate?
The canonical SMILES for 2-chloro-4-(2,4-difluorophenyl)benzoate is O=C([O-])c1ccc(-c2ccc(F)cc2F)cc1Cl.
What is the InChIKey of 2-chloro-4-(2,4-difluorophenyl)benzoate?
The InChIKey is NGOXCNCEPVUSIG-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H7ClF2O2/c14-11-5-7(1-3-10(11)13(17)18)9-4-2-8(15)6-12(9)16/h1-6H,(H,17,18)/p-1.
What are the key properties of 2-chloro-4-(2,4-difluorophenyl)benzoate?
2-chloro-4-(2,4-difluorophenyl)benzoate has a molecular weight of 267.64 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2,4-difluorophenyl)benzoate is sourced from PubChem (CID 86307272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).