7-fluoro-2-prop-2-enyl-1-benzofuran

C11H9FO — CID 114735883

IUPAC7-fluoro-2-prop-2-enyl-1-benzofuran
SMILESC=CCc1cc2cccc(F)c2o1
InChIInChI=1S/C11H9FO/c1-2-4-9-7-8-5-3-6-10(12)11(8)13-9/h2-3,5-7H,1,4H2
InChIKeyPNKDKOXEYBJKGW-UHFFFAOYSA-N
MW176.19 g/mol
LogP3.30
Rot. Bonds2

About 7-fluoro-2-prop-2-enyl-1-benzofuran

7-fluoro-2-prop-2-enyl-1-benzofuran (PubChem CID 114735883) has the molecular formula C11H9FO and a molecular weight of 176.19 g/mol. Its IUPAC name is 7-fluoro-2-prop-2-enyl-1-benzofuran.

Molecular Properties

Compound Name7-fluoro-2-prop-2-enyl-1-benzofuran
PubChem CID114735883
Molecular FormulaC11H9FO
Molecular Weight176.19 g/mol
Exact Mass176.06
IUPAC Name7-fluoro-2-prop-2-enyl-1-benzofuran
SMILESC=CCc1cc2cccc(F)c2o1
InChIInChI=1S/C11H9FO/c1-2-4-9-7-8-5-3-6-10(12)11(8)13-9/h2-3,5-7H,1,4H2
InChIKeyPNKDKOXEYBJKGW-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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Related Compounds

2-(7-fluoro-1-benzofuran-2-yl)acetaldehyde
CID 114732770
(7-fluoro-1-benzofuran-2-yl)methanethiol
CID 117182886
1-(7-fluoro-1-benzofuran-2-yl)-N-methylmethanamine
CID 65440139
2-(7-fluoro-1-benzofuran-2-yl)ethyl formate
CID 91524112
7-fluoro-2-(phenoxymethyl)-1-benzofuran
CID 117182764
N-[3-(7-fluoro-1-benzofuran-2-yl)propyl]-2-methylpropan-2-amine
CID 114733328
3-[(7-fluoro-1-benzofuran-2-yl)methyl]pyridin-2-amine
CID 114733096
1-cyclopropyl-3-(7-fluoro-1-benzofuran-2-yl)propan-1-one
CID 114733174
2,6-bis(prop-2-enyl)furo[3,2-f][1]benzofuran
CID 23727580
7-fluoro-2-propan-2-yl-1-benzofuran
CID 88991552
(7-fluoro-1-benzofuran-2-yl)-trimethylsilane
CID 130535912
3,3,3-trifluoro-1-(7-fluoro-1-benzofuran-2-yl)propan-1-amine
CID 114728036

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-prop-2-enyl-1-benzofuran?
The IUPAC name of 7-fluoro-2-prop-2-enyl-1-benzofuran (CID 114735883) is 7-fluoro-2-prop-2-enyl-1-benzofuran.
What is the SMILES notation for 7-fluoro-2-prop-2-enyl-1-benzofuran?
The canonical SMILES for 7-fluoro-2-prop-2-enyl-1-benzofuran is C=CCc1cc2cccc(F)c2o1.
What is the InChIKey of 7-fluoro-2-prop-2-enyl-1-benzofuran?
The InChIKey is PNKDKOXEYBJKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FO/c1-2-4-9-7-8-5-3-6-10(12)11(8)13-9/h2-3,5-7H,1,4H2.
What are the key properties of 7-fluoro-2-prop-2-enyl-1-benzofuran?
7-fluoro-2-prop-2-enyl-1-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 7-fluoro-2-prop-2-enyl-1-benzofuran is sourced from PubChem (CID 114735883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).