2-fluoro-3-methyl-1-benzofuran

C9H7FO — CID 45090481

IUPAC2-fluoro-3-methyl-1-benzofuran
SMILESCc1c(F)oc2ccccc12
InChIInChI=1S/C9H7FO/c1-6-7-4-2-3-5-8(7)11-9(6)10/h2-5H,1H3
InChIKeyDIHNHDAHHLWZFU-UHFFFAOYSA-N
MW150.15 g/mol
LogP2.88
Rot. Bonds

About 2-fluoro-3-methyl-1-benzofuran

2-fluoro-3-methyl-1-benzofuran (PubChem CID 45090481) has the molecular formula C9H7FO and a molecular weight of 150.15 g/mol. Its IUPAC name is 2-fluoro-3-methyl-1-benzofuran.

Molecular Properties

Compound Name2-fluoro-3-methyl-1-benzofuran
PubChem CID45090481
Molecular FormulaC9H7FO
Molecular Weight150.15 g/mol
Exact Mass150.05
IUPAC Name2-fluoro-3-methyl-1-benzofuran
SMILESCc1c(F)oc2ccccc12
InChIInChI=1S/C9H7FO/c1-6-7-4-2-3-5-8(7)11-9(6)10/h2-5H,1H3
InChIKeyDIHNHDAHHLWZFU-UHFFFAOYSA-N
XLogP2.88
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-1-benzofuran?
The IUPAC name of 2-fluoro-3-methyl-1-benzofuran (CID 45090481) is 2-fluoro-3-methyl-1-benzofuran.
What is the SMILES notation for 2-fluoro-3-methyl-1-benzofuran?
The canonical SMILES for 2-fluoro-3-methyl-1-benzofuran is Cc1c(F)oc2ccccc12.
What is the InChIKey of 2-fluoro-3-methyl-1-benzofuran?
The InChIKey is DIHNHDAHHLWZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO/c1-6-7-4-2-3-5-8(7)11-9(6)10/h2-5H,1H3.
What are the key properties of 2-fluoro-3-methyl-1-benzofuran?
2-fluoro-3-methyl-1-benzofuran has a molecular weight of 150.15 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-1-benzofuran is sourced from PubChem (CID 45090481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).