dimethyl 2,3-dichloro-5,6-difluorobenzene-1,4-dicarboxylate

C10H6Cl2F2O4 — CID 87308987

IUPACdimethyl 2,3-dichloro-5,6-difluorobenzene-1,4-dicarboxylate
SMILESCOC(=O)c1c(F)c(F)c(C(=O)OC)c(Cl)c1Cl
InChIInChI=1S/C10H6Cl2F2O4/c1-17-9(15)3-5(11)6(12)4(10(16)18-2)8(14)7(3)13/h1-2H3
InChIKeyWPWKLIPHAHIXIK-UHFFFAOYSA-N
MW299.06 g/mol
LogP2.84
Rot. Bonds2

About dimethyl 2,3-dichloro-5,6-difluorobenzene-1,4-dicarboxylate

dimethyl 2,3-dichloro-5,6-difluorobenzene-1,4-dicarboxylate (PubChem CID 87308987) has the molecular formula C10H6Cl2F2O4 and a molecular weight of 299.06 g/mol. Its IUPAC name is dimethyl 2,3-dichloro-5,6-difluorobenzene-1,4-dicarboxylate.

Molecular Properties

Compound Namedimethyl 2,3-dichloro-5,6-difluorobenzene-1,4-dicarboxylate
PubChem CID87308987
Molecular FormulaC10H6Cl2F2O4
Molecular Weight299.06 g/mol
Exact Mass297.96
IUPAC Namedimethyl 2,3-dichloro-5,6-difluorobenzene-1,4-dicarboxylate
SMILESCOC(=O)c1c(F)c(F)c(C(=O)OC)c(Cl)c1Cl
InChIInChI=1S/C10H6Cl2F2O4/c1-17-9(15)3-5(11)6(12)4(10(16)18-2)8(14)7(3)13/h1-2H3
InChIKeyWPWKLIPHAHIXIK-UHFFFAOYSA-N
XLogP2.84
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.06
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Dacthal
CID 2943
Chlorthal-monomethyl
CID 13455
Glenbar
CID 19583
Benzoic acid, 2,3-dichloro-, methyl ester
CID 76189
Dioctyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate
CID 256609
2,3-Dichloro-5-fluoro-4-methylbenzoic acid
CID 13657441
Methyl 2,5-dichloro-3-fluoro-4-methylbenzoate
CID 21298239
Methyl 2-chloro-4-(trifluoromethyl)benzoate
CID 23499962
Methyl 2,3-dichloro-4-fluorobenzoate
CID 46311120
Methyl 2,3-dichloro-6-fluorobenzoate
CID 46311121
Methyl 4,5-dichloro-2-fluorobenzoate
CID 46311124
Methyl 3,5-dichloro-2,4,6-trifluorobenzoate
CID 46311125

Frequently Asked Questions

What is the IUPAC name of dimethyl 2,3-dichloro-5,6-difluorobenzene-1,4-dicarboxylate?
The IUPAC name of dimethyl 2,3-dichloro-5,6-difluorobenzene-1,4-dicarboxylate (CID 87308987) is dimethyl 2,3-dichloro-5,6-difluorobenzene-1,4-dicarboxylate.
What is the SMILES notation for dimethyl 2,3-dichloro-5,6-difluorobenzene-1,4-dicarboxylate?
The canonical SMILES for dimethyl 2,3-dichloro-5,6-difluorobenzene-1,4-dicarboxylate is COC(=O)c1c(F)c(F)c(C(=O)OC)c(Cl)c1Cl.
What is the InChIKey of dimethyl 2,3-dichloro-5,6-difluorobenzene-1,4-dicarboxylate?
The InChIKey is WPWKLIPHAHIXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F2O4/c1-17-9(15)3-5(11)6(12)4(10(16)18-2)8(14)7(3)13/h1-2H3.
What are the key properties of dimethyl 2,3-dichloro-5,6-difluorobenzene-1,4-dicarboxylate?
dimethyl 2,3-dichloro-5,6-difluorobenzene-1,4-dicarboxylate has a molecular weight of 299.06 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 2,3-dichloro-5,6-difluorobenzene-1,4-dicarboxylate is sourced from PubChem (CID 87308987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).