4,7-difluoro-2-methyl-1-benzofuran-3-ol

C9H6F2O2 — CID 175687402

IUPAC4,7-difluoro-2-methyl-1-benzofuran-3-ol
SMILESCc1oc2c(F)ccc(F)c2c1O
InChIInChI=1S/C9H6F2O2/c1-4-8(12)7-5(10)2-3-6(11)9(7)13-4/h2-3,12H,1H3
InChIKeyRIKYOVMPKNUVLK-UHFFFAOYSA-N
MW184.14 g/mol
LogP2.73
Rot. Bonds

About 4,7-difluoro-2-methyl-1-benzofuran-3-ol

4,7-difluoro-2-methyl-1-benzofuran-3-ol (PubChem CID 175687402) has the molecular formula C9H6F2O2 and a molecular weight of 184.14 g/mol. Its IUPAC name is 4,7-difluoro-2-methyl-1-benzofuran-3-ol.

Molecular Properties

Compound Name4,7-difluoro-2-methyl-1-benzofuran-3-ol
PubChem CID175687402
Molecular FormulaC9H6F2O2
Molecular Weight184.14 g/mol
Exact Mass184.03
IUPAC Name4,7-difluoro-2-methyl-1-benzofuran-3-ol
SMILESCc1oc2c(F)ccc(F)c2c1O
InChIInChI=1S/C9H6F2O2/c1-4-8(12)7-5(10)2-3-6(11)9(7)13-4/h2-3,12H,1H3
InChIKeyRIKYOVMPKNUVLK-UHFFFAOYSA-N
XLogP2.73
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-2-methyl-1-benzofuran-3-ol?
The IUPAC name of 4,7-difluoro-2-methyl-1-benzofuran-3-ol (CID 175687402) is 4,7-difluoro-2-methyl-1-benzofuran-3-ol.
What is the SMILES notation for 4,7-difluoro-2-methyl-1-benzofuran-3-ol?
The canonical SMILES for 4,7-difluoro-2-methyl-1-benzofuran-3-ol is Cc1oc2c(F)ccc(F)c2c1O.
What is the InChIKey of 4,7-difluoro-2-methyl-1-benzofuran-3-ol?
The InChIKey is RIKYOVMPKNUVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2O2/c1-4-8(12)7-5(10)2-3-6(11)9(7)13-4/h2-3,12H,1H3.
What are the key properties of 4,7-difluoro-2-methyl-1-benzofuran-3-ol?
4,7-difluoro-2-methyl-1-benzofuran-3-ol has a molecular weight of 184.14 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-2-methyl-1-benzofuran-3-ol is sourced from PubChem (CID 175687402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).