3-fluoro-2-(4-methylphenyl)furan

C11H9FO — CID 10942983

IUPAC3-fluoro-2-(4-methylphenyl)furan
SMILESCc1ccc(-c2occc2F)cc1
InChIInChI=1S/C11H9FO/c1-8-2-4-9(5-3-8)11-10(12)6-7-13-11/h2-7H,1H3
InChIKeyFXNBQUMHFYBNLD-UHFFFAOYSA-N
MW176.19 g/mol
LogP3.39
Rot. Bonds1

About 3-fluoro-2-(4-methylphenyl)furan

3-fluoro-2-(4-methylphenyl)furan (PubChem CID 10942983) has the molecular formula C11H9FO and a molecular weight of 176.19 g/mol. Its IUPAC name is 3-fluoro-2-(4-methylphenyl)furan.

Molecular Properties

Compound Name3-fluoro-2-(4-methylphenyl)furan
PubChem CID10942983
Molecular FormulaC11H9FO
Molecular Weight176.19 g/mol
Exact Mass176.06
IUPAC Name3-fluoro-2-(4-methylphenyl)furan
SMILESCc1ccc(-c2occc2F)cc1
InChIInChI=1S/C11H9FO/c1-8-2-4-9(5-3-8)11-10(12)6-7-13-11/h2-7H,1H3
InChIKeyFXNBQUMHFYBNLD-UHFFFAOYSA-N
XLogP3.39
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(4-methylphenyl)furan?
The IUPAC name of 3-fluoro-2-(4-methylphenyl)furan (CID 10942983) is 3-fluoro-2-(4-methylphenyl)furan.
What is the SMILES notation for 3-fluoro-2-(4-methylphenyl)furan?
The canonical SMILES for 3-fluoro-2-(4-methylphenyl)furan is Cc1ccc(-c2occc2F)cc1.
What is the InChIKey of 3-fluoro-2-(4-methylphenyl)furan?
The InChIKey is FXNBQUMHFYBNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO/c1-8-2-4-9(5-3-8)11-10(12)6-7-13-11/h2-7H,1H3.
What are the key properties of 3-fluoro-2-(4-methylphenyl)furan?
3-fluoro-2-(4-methylphenyl)furan has a molecular weight of 176.19 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(4-methylphenyl)furan is sourced from PubChem (CID 10942983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).