6-fluoro-1-prop-2-enyl-2-benzofuran

C11H9FO — CID 118049771

IUPAC6-fluoro-1-prop-2-enyl-2-benzofuran
SMILESC=CCc1occ2ccc(F)cc12
InChIInChI=1S/C11H9FO/c1-2-3-11-10-6-9(12)5-4-8(10)7-13-11/h2,4-7H,1,3H2
InChIKeyKJUYJCHKJWKYAH-UHFFFAOYSA-N
MW176.19 g/mol
LogP3.30
Rot. Bonds2

About 6-fluoro-1-prop-2-enyl-2-benzofuran

6-fluoro-1-prop-2-enyl-2-benzofuran (PubChem CID 118049771) has the molecular formula C11H9FO and a molecular weight of 176.19 g/mol. Its IUPAC name is 6-fluoro-1-prop-2-enyl-2-benzofuran.

Molecular Properties

Compound Name6-fluoro-1-prop-2-enyl-2-benzofuran
PubChem CID118049771
Molecular FormulaC11H9FO
Molecular Weight176.19 g/mol
Exact Mass176.06
IUPAC Name6-fluoro-1-prop-2-enyl-2-benzofuran
SMILESC=CCc1occ2ccc(F)cc12
InChIInChI=1S/C11H9FO/c1-2-3-11-10-6-9(12)5-4-8(10)7-13-11/h2,4-7H,1,3H2
InChIKeyKJUYJCHKJWKYAH-UHFFFAOYSA-N
XLogP3.30
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-prop-2-enyl-2-benzofuran?
The IUPAC name of 6-fluoro-1-prop-2-enyl-2-benzofuran (CID 118049771) is 6-fluoro-1-prop-2-enyl-2-benzofuran.
What is the SMILES notation for 6-fluoro-1-prop-2-enyl-2-benzofuran?
The canonical SMILES for 6-fluoro-1-prop-2-enyl-2-benzofuran is C=CCc1occ2ccc(F)cc12.
What is the InChIKey of 6-fluoro-1-prop-2-enyl-2-benzofuran?
The InChIKey is KJUYJCHKJWKYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO/c1-2-3-11-10-6-9(12)5-4-8(10)7-13-11/h2,4-7H,1,3H2.
What are the key properties of 6-fluoro-1-prop-2-enyl-2-benzofuran?
6-fluoro-1-prop-2-enyl-2-benzofuran has a molecular weight of 176.19 g/mol, XLogP of 3.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-prop-2-enyl-2-benzofuran is sourced from PubChem (CID 118049771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).