methyl 2,3-dichloro-6,7-difluoro-2,3-dihydro-1-benzofuran-5-carboxylate

C10H6Cl2F2O3 — CID 163363178

IUPACmethyl 2,3-dichloro-6,7-difluoro-2,3-dihydro-1-benzofuran-5-carboxylate
SMILESCOC(=O)c1cc2c(c(F)c1F)OC(Cl)C2Cl
InChIInChI=1S/C10H6Cl2F2O3/c1-16-10(15)4-2-3-5(11)9(12)17-8(3)7(14)6(4)13/h2,5,9H,1H3
InChIKeyGSSFOKWUKCFUPH-UHFFFAOYSA-N
MW283.06 g/mol
LogP2.99
Rot. Bonds1

About methyl 2,3-dichloro-6,7-difluoro-2,3-dihydro-1-benzofuran-5-carboxylate

methyl 2,3-dichloro-6,7-difluoro-2,3-dihydro-1-benzofuran-5-carboxylate (PubChem CID 163363178) has the molecular formula C10H6Cl2F2O3 and a molecular weight of 283.06 g/mol. Its IUPAC name is methyl 2,3-dichloro-6,7-difluoro-2,3-dihydro-1-benzofuran-5-carboxylate.

Molecular Properties

Compound Namemethyl 2,3-dichloro-6,7-difluoro-2,3-dihydro-1-benzofuran-5-carboxylate
PubChem CID163363178
Molecular FormulaC10H6Cl2F2O3
Molecular Weight283.06 g/mol
Exact Mass281.97
IUPAC Namemethyl 2,3-dichloro-6,7-difluoro-2,3-dihydro-1-benzofuran-5-carboxylate
SMILESCOC(=O)c1cc2c(c(F)c1F)OC(Cl)C2Cl
InChIInChI=1S/C10H6Cl2F2O3/c1-16-10(15)4-2-3-5(11)9(12)17-8(3)7(14)6(4)13/h2,5,9H,1H3
InChIKeyGSSFOKWUKCFUPH-UHFFFAOYSA-N
XLogP2.99
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.06
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2,3-dichloro-6,7-difluoro-2,3-dihydro-1-benzofuran-5-carboxylate?
The IUPAC name of methyl 2,3-dichloro-6,7-difluoro-2,3-dihydro-1-benzofuran-5-carboxylate (CID 163363178) is methyl 2,3-dichloro-6,7-difluoro-2,3-dihydro-1-benzofuran-5-carboxylate.
What is the SMILES notation for methyl 2,3-dichloro-6,7-difluoro-2,3-dihydro-1-benzofuran-5-carboxylate?
The canonical SMILES for methyl 2,3-dichloro-6,7-difluoro-2,3-dihydro-1-benzofuran-5-carboxylate is COC(=O)c1cc2c(c(F)c1F)OC(Cl)C2Cl.
What is the InChIKey of methyl 2,3-dichloro-6,7-difluoro-2,3-dihydro-1-benzofuran-5-carboxylate?
The InChIKey is GSSFOKWUKCFUPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F2O3/c1-16-10(15)4-2-3-5(11)9(12)17-8(3)7(14)6(4)13/h2,5,9H,1H3.
What are the key properties of methyl 2,3-dichloro-6,7-difluoro-2,3-dihydro-1-benzofuran-5-carboxylate?
methyl 2,3-dichloro-6,7-difluoro-2,3-dihydro-1-benzofuran-5-carboxylate has a molecular weight of 283.06 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3-dichloro-6,7-difluoro-2,3-dihydro-1-benzofuran-5-carboxylate is sourced from PubChem (CID 163363178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).