chloro 3-chloro-2,4-difluorobenzoate

C7H2Cl2F2O2 — CID 22149771

IUPACchloro 3-chloro-2,4-difluorobenzoate
SMILESO=C(OCl)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C7H2Cl2F2O2/c8-5-4(10)2-1-3(6(5)11)7(12)13-9/h1-2H
InChIKeyDUADJHVSMXRHHF-UHFFFAOYSA-N
MW226.99 g/mol
LogP2.93
Rot. Bonds1

About chloro 3-chloro-2,4-difluorobenzoate

chloro 3-chloro-2,4-difluorobenzoate (PubChem CID 22149771) has the molecular formula C7H2Cl2F2O2 and a molecular weight of 226.99 g/mol. Its IUPAC name is chloro 3-chloro-2,4-difluorobenzoate.

Molecular Properties

Compound Namechloro 3-chloro-2,4-difluorobenzoate
PubChem CID22149771
Molecular FormulaC7H2Cl2F2O2
Molecular Weight226.99 g/mol
Exact Mass225.94
IUPAC Namechloro 3-chloro-2,4-difluorobenzoate
SMILESO=C(OCl)c1ccc(F)c(Cl)c1F
InChIInChI=1S/C7H2Cl2F2O2/c8-5-4(10)2-1-3(6(5)11)7(12)13-9/h1-2H
InChIKeyDUADJHVSMXRHHF-UHFFFAOYSA-N
XLogP2.93
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.99
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dichloro 2,3-dichlorobenzene-1,4-dicarboxylate
CID 18426984
2,3,4-trifluorobenzenecarboperoxoic acid
CID 87231779
3-chloro-2,4-difluoro-N-hydroxybenzenecarboximidoyl chloride
CID 140772329
(3-chloro-2,4-difluorophenyl)-[2-(2,2,2-trifluoroethoxy)pyrimidin-5-yl]methanone
CID 166110876
(3-chloro-2,4-difluorophenyl)-(3,3-dimethylcyclobutyl)methanone
CID 167436532
chloro 4-chlorobenzoate
CID 67325757
methyl 2-bromo-3-chloro-4-fluorobenzoate
CID 131090831
(3-chloro-2,4-difluorophenyl)-thiomorpholin-4-ylmethanone
CID 164891876
(3-chloro-2,4-difluorophenyl)-(3-methylazetidin-3-yl)methanone;hydrochloride
CID 162509745
propan-2-yl 3-chloro-2-fluoro-4-hydroxybenzoate
CID 90322649
methyl 3-chloro-2-fluoro-4-(trifluoromethyl)benzoate
CID 134646250
sodium 2-chloro-3,4-difluorobenzoate
CID 170998564

Frequently Asked Questions

What is the IUPAC name of chloro 3-chloro-2,4-difluorobenzoate?
The IUPAC name of chloro 3-chloro-2,4-difluorobenzoate (CID 22149771) is chloro 3-chloro-2,4-difluorobenzoate.
What is the SMILES notation for chloro 3-chloro-2,4-difluorobenzoate?
The canonical SMILES for chloro 3-chloro-2,4-difluorobenzoate is O=C(OCl)c1ccc(F)c(Cl)c1F.
What is the InChIKey of chloro 3-chloro-2,4-difluorobenzoate?
The InChIKey is DUADJHVSMXRHHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2Cl2F2O2/c8-5-4(10)2-1-3(6(5)11)7(12)13-9/h1-2H.
What are the key properties of chloro 3-chloro-2,4-difluorobenzoate?
chloro 3-chloro-2,4-difluorobenzoate has a molecular weight of 226.99 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 3-chloro-2,4-difluorobenzoate is sourced from PubChem (CID 22149771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).