1-but-3-enyl-2-fluoro-4-prop-1-enylbenzene

C13H15F — CID 58719127

IUPAC1-but-3-enyl-2-fluoro-4-prop-1-enylbenzene
SMILESC=CCCc1ccc(C=CC)cc1F
InChIInChI=1S/C13H15F/c1-3-5-7-12-9-8-11(6-4-2)10-13(12)14/h3-4,6,8-10H,1,5,7H2,2H3
InChIKeyKLGYWTNKGZKARM-UHFFFAOYSA-N
MW190.26 g/mol
LogP3.98
Rot. Bonds4

About 1-but-3-enyl-2-fluoro-4-prop-1-enylbenzene

1-but-3-enyl-2-fluoro-4-prop-1-enylbenzene (PubChem CID 58719127) has the molecular formula C13H15F and a molecular weight of 190.26 g/mol. Its IUPAC name is 1-but-3-enyl-2-fluoro-4-prop-1-enylbenzene.

Molecular Properties

Compound Name1-but-3-enyl-2-fluoro-4-prop-1-enylbenzene
PubChem CID58719127
Molecular FormulaC13H15F
Molecular Weight190.26 g/mol
Exact Mass190.12
IUPAC Name1-but-3-enyl-2-fluoro-4-prop-1-enylbenzene
SMILESC=CCCc1ccc(C=CC)cc1F
InChIInChI=1S/C13H15F/c1-3-5-7-12-9-8-11(6-4-2)10-13(12)14/h3-4,6,8-10H,1,5,7H2,2H3
InChIKeyKLGYWTNKGZKARM-UHFFFAOYSA-N
XLogP3.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 1-but-3-enyl-2-fluoro-4-prop-1-enylbenzene?
The IUPAC name of 1-but-3-enyl-2-fluoro-4-prop-1-enylbenzene (CID 58719127) is 1-but-3-enyl-2-fluoro-4-prop-1-enylbenzene.
What is the SMILES notation for 1-but-3-enyl-2-fluoro-4-prop-1-enylbenzene?
The canonical SMILES for 1-but-3-enyl-2-fluoro-4-prop-1-enylbenzene is C=CCCc1ccc(C=CC)cc1F.
What is the InChIKey of 1-but-3-enyl-2-fluoro-4-prop-1-enylbenzene?
The InChIKey is KLGYWTNKGZKARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F/c1-3-5-7-12-9-8-11(6-4-2)10-13(12)14/h3-4,6,8-10H,1,5,7H2,2H3.
What are the key properties of 1-but-3-enyl-2-fluoro-4-prop-1-enylbenzene?
1-but-3-enyl-2-fluoro-4-prop-1-enylbenzene has a molecular weight of 190.26 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-enyl-2-fluoro-4-prop-1-enylbenzene is sourced from PubChem (CID 58719127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).