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

C10H8F2O3 — CID 165462889

IUPACmethyl 6,7-difluoro-2,3-dihydro-1-benzofuran-3-carboxylate
SMILESCOC(=O)C1COc2c1ccc(F)c2F
InChIInChI=1S/C10H8F2O3/c1-14-10(13)6-4-15-9-5(6)2-3-7(11)8(9)12/h2-3,6H,4H2,1H3
InChIKeyGUCRDMJYPMWROD-UHFFFAOYSA-N
MW214.17 g/mol
LogP1.61
Rot. Bonds1

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

methyl 6,7-difluoro-2,3-dihydro-1-benzofuran-3-carboxylate (PubChem CID 165462889) has the molecular formula C10H8F2O3 and a molecular weight of 214.17 g/mol. Its IUPAC name is methyl 6,7-difluoro-2,3-dihydro-1-benzofuran-3-carboxylate.

Molecular Properties

Compound Namemethyl 6,7-difluoro-2,3-dihydro-1-benzofuran-3-carboxylate
PubChem CID165462889
Molecular FormulaC10H8F2O3
Molecular Weight214.17 g/mol
Exact Mass214.04
IUPAC Namemethyl 6,7-difluoro-2,3-dihydro-1-benzofuran-3-carboxylate
SMILESCOC(=O)C1COc2c1ccc(F)c2F
InChIInChI=1S/C10H8F2O3/c1-14-10(13)6-4-15-9-5(6)2-3-7(11)8(9)12/h2-3,6H,4H2,1H3
InChIKeyGUCRDMJYPMWROD-UHFFFAOYSA-N
XLogP1.61
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.17
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-bromo-2,3-dihydro-1-benzofuran-3-carboxylate
CID 146246442
methyl (3S)-2,3-dihydro-1-benzofuran-3-carboxylate
CID 95340884
7,8-difluoro-N,3-dimethyl-3,4-dihydro-2H-chromen-4-amine
CID 82234776
methyl 7-methoxy-5-methyl-2,3-dihydro-1-benzofuran-3-carboxylate
CID 165462888
methyl 5-bromo-7-tert-butyl-2,3-dihydro-1-benzofuran-3-carboxylate
CID 59268315
N-ethyl-7,8-difluoro-3-methyl-3,4-dihydro-2H-chromen-4-amine
CID 82236018
1-[(3S)-7,8-difluoro-3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethanone
CID 15006717
methyl 1-(2,3,4-trifluorobenzoyl)-2,3-dihydroindole-3-carboxylate
CID 75377070
methyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate
CID 14986536
methyl 6-[(2,2-difluoro-1,3-benzodioxol-4-yl)methoxy]-2,3-dihydro-1-benzofuran-3-carboxylate
CID 170016156
methyl 4-amino-8-fluoro-3,4-dihydro-2H-chromene-7-carboxylate
CID 146014124
methyl 6-methyl-4-oxooxane-3-carboxylate
CID 82598471

Frequently Asked Questions

What is the IUPAC name of methyl 6,7-difluoro-2,3-dihydro-1-benzofuran-3-carboxylate?
The IUPAC name of methyl 6,7-difluoro-2,3-dihydro-1-benzofuran-3-carboxylate (CID 165462889) is methyl 6,7-difluoro-2,3-dihydro-1-benzofuran-3-carboxylate.
What is the SMILES notation for methyl 6,7-difluoro-2,3-dihydro-1-benzofuran-3-carboxylate?
The canonical SMILES for methyl 6,7-difluoro-2,3-dihydro-1-benzofuran-3-carboxylate is COC(=O)C1COc2c1ccc(F)c2F.
What is the InChIKey of methyl 6,7-difluoro-2,3-dihydro-1-benzofuran-3-carboxylate?
The InChIKey is GUCRDMJYPMWROD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2O3/c1-14-10(13)6-4-15-9-5(6)2-3-7(11)8(9)12/h2-3,6H,4H2,1H3.
What are the key properties of methyl 6,7-difluoro-2,3-dihydro-1-benzofuran-3-carboxylate?
methyl 6,7-difluoro-2,3-dihydro-1-benzofuran-3-carboxylate has a molecular weight of 214.17 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6,7-difluoro-2,3-dihydro-1-benzofuran-3-carboxylate is sourced from PubChem (CID 165462889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).