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

C9H6F2O — CID 114722813

IUPAC4,7-difluoro-3-methyl-1-benzofuran
SMILESCc1coc2c(F)ccc(F)c12
InChIInChI=1S/C9H6F2O/c1-5-4-12-9-7(11)3-2-6(10)8(5)9/h2-4H,1H3
InChIKeyPNIRFVYVIZQDKW-UHFFFAOYSA-N
MW168.14 g/mol
LogP3.02
Rot. Bonds

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

4,7-difluoro-3-methyl-1-benzofuran (PubChem CID 114722813) has the molecular formula C9H6F2O and a molecular weight of 168.14 g/mol. Its IUPAC name is 4,7-difluoro-3-methyl-1-benzofuran.

Molecular Properties

Compound Name4,7-difluoro-3-methyl-1-benzofuran
PubChem CID114722813
Molecular FormulaC9H6F2O
Molecular Weight168.14 g/mol
Exact Mass168.04
IUPAC Name4,7-difluoro-3-methyl-1-benzofuran
SMILESCc1coc2c(F)ccc(F)c12
InChIInChI=1S/C9H6F2O/c1-5-4-12-9-7(11)3-2-6(10)8(5)9/h2-4H,1H3
InChIKeyPNIRFVYVIZQDKW-UHFFFAOYSA-N
XLogP3.02
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.14
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,7-difluoro-3-methyl-1-benzofuran?
The IUPAC name of 4,7-difluoro-3-methyl-1-benzofuran (CID 114722813) is 4,7-difluoro-3-methyl-1-benzofuran.
What is the SMILES notation for 4,7-difluoro-3-methyl-1-benzofuran?
The canonical SMILES for 4,7-difluoro-3-methyl-1-benzofuran is Cc1coc2c(F)ccc(F)c12.
What is the InChIKey of 4,7-difluoro-3-methyl-1-benzofuran?
The InChIKey is PNIRFVYVIZQDKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F2O/c1-5-4-12-9-7(11)3-2-6(10)8(5)9/h2-4H,1H3.
What are the key properties of 4,7-difluoro-3-methyl-1-benzofuran?
4,7-difluoro-3-methyl-1-benzofuran has a molecular weight of 168.14 g/mol, XLogP of 3.02, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-difluoro-3-methyl-1-benzofuran is sourced from PubChem (CID 114722813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).