1-ethyl-2-fluoro-4-[(E)-pent-3-enyl]benzene

C13H17F — CID 89277560

IUPAC1-ethyl-2-fluoro-4-[(E)-pent-3-enyl]benzene
SMILESC/C=C/CCc1ccc(CC)c(F)c1
InChIInChI=1S/C13H17F/c1-3-5-6-7-11-8-9-12(4-2)13(14)10-11/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+
InChIKeyDFJQLHLTWUBJJJ-HWKANZROSA-N
MW192.28 g/mol
LogP3.90
Rot. Bonds4

About 1-ethyl-2-fluoro-4-[(E)-pent-3-enyl]benzene

1-ethyl-2-fluoro-4-[(E)-pent-3-enyl]benzene (PubChem CID 89277560) has the molecular formula C13H17F and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-ethyl-2-fluoro-4-[(E)-pent-3-enyl]benzene.

Molecular Properties

Compound Name1-ethyl-2-fluoro-4-[(E)-pent-3-enyl]benzene
PubChem CID89277560
Molecular FormulaC13H17F
Molecular Weight192.28 g/mol
Exact Mass192.13
IUPAC Name1-ethyl-2-fluoro-4-[(E)-pent-3-enyl]benzene
SMILESC/C=C/CCc1ccc(CC)c(F)c1
InChIInChI=1S/C13H17F/c1-3-5-6-7-11-8-9-12(4-2)13(14)10-11/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+
InChIKeyDFJQLHLTWUBJJJ-HWKANZROSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 53.90
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-ethyl-2-fluoro-4-[(E)-pent-3-enyl]benzene?
The IUPAC name of 1-ethyl-2-fluoro-4-[(E)-pent-3-enyl]benzene (CID 89277560) is 1-ethyl-2-fluoro-4-[(E)-pent-3-enyl]benzene.
What is the SMILES notation for 1-ethyl-2-fluoro-4-[(E)-pent-3-enyl]benzene?
The canonical SMILES for 1-ethyl-2-fluoro-4-[(E)-pent-3-enyl]benzene is C/C=C/CCc1ccc(CC)c(F)c1.
What is the InChIKey of 1-ethyl-2-fluoro-4-[(E)-pent-3-enyl]benzene?
The InChIKey is DFJQLHLTWUBJJJ-HWKANZROSA-N. The full InChI is InChI=1S/C13H17F/c1-3-5-6-7-11-8-9-12(4-2)13(14)10-11/h3,5,8-10H,4,6-7H2,1-2H3/b5-3+.
What are the key properties of 1-ethyl-2-fluoro-4-[(E)-pent-3-enyl]benzene?
1-ethyl-2-fluoro-4-[(E)-pent-3-enyl]benzene has a molecular weight of 192.28 g/mol, XLogP of 3.90, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-fluoro-4-[(E)-pent-3-enyl]benzene is sourced from PubChem (CID 89277560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).