7-fluoro-1-methyl-2-benzofuran

C9H7FO — CID 67274988

IUPAC7-fluoro-1-methyl-2-benzofuran
SMILESCc1occ2cccc(F)c12
InChIInChI=1S/C9H7FO/c1-6-9-7(5-11-6)3-2-4-8(9)10/h2-5H,1H3
InChIKeyXGEULRXQBCDBGH-UHFFFAOYSA-N
MW150.15 g/mol
LogP2.88
Rot. Bonds

About 7-fluoro-1-methyl-2-benzofuran

7-fluoro-1-methyl-2-benzofuran (PubChem CID 67274988) has the molecular formula C9H7FO and a molecular weight of 150.15 g/mol. Its IUPAC name is 7-fluoro-1-methyl-2-benzofuran.

Molecular Properties

Compound Name7-fluoro-1-methyl-2-benzofuran
PubChem CID67274988
Molecular FormulaC9H7FO
Molecular Weight150.15 g/mol
Exact Mass150.05
IUPAC Name7-fluoro-1-methyl-2-benzofuran
SMILESCc1occ2cccc(F)c12
InChIInChI=1S/C9H7FO/c1-6-9-7(5-11-6)3-2-4-8(9)10/h2-5H,1H3
InChIKeyXGEULRXQBCDBGH-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 7-fluoro-1-methyl-2-benzofuran?
The IUPAC name of 7-fluoro-1-methyl-2-benzofuran (CID 67274988) is 7-fluoro-1-methyl-2-benzofuran.
What is the SMILES notation for 7-fluoro-1-methyl-2-benzofuran?
The canonical SMILES for 7-fluoro-1-methyl-2-benzofuran is Cc1occ2cccc(F)c12.
What is the InChIKey of 7-fluoro-1-methyl-2-benzofuran?
The InChIKey is XGEULRXQBCDBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FO/c1-6-9-7(5-11-6)3-2-4-8(9)10/h2-5H,1H3.
What are the key properties of 7-fluoro-1-methyl-2-benzofuran?
7-fluoro-1-methyl-2-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 7-fluoro-1-methyl-2-benzofuran is sourced from PubChem (CID 67274988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).