2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene

C26H27F — CID 76621394

IUPAC2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene
SMILESCC=CCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2)cc1F
InChIInChI=1S/C26H27F/c1-3-5-6-8-24-17-18-25(19-26(24)27)23-15-13-22(14-16-23)21-11-9-20(7-4-2)10-12-21/h3,5,9-19H,4,6-8H2,1-2H3
InChIKeyUYKKDMPQZWDBQS-UHFFFAOYSA-N
MW358.50 g/mol
LogP7.62
Rot. Bonds7

About 2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene

2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene (PubChem CID 76621394) has the molecular formula C26H27F and a molecular weight of 358.50 g/mol. Its IUPAC name is 2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene.

Molecular Properties

Compound Name2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene
PubChem CID76621394
Molecular FormulaC26H27F
Molecular Weight358.50 g/mol
Exact Mass358.21
IUPAC Name2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene
SMILESCC=CCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2)cc1F
InChIInChI=1S/C26H27F/c1-3-5-6-8-24-17-18-25(19-26(24)27)23-15-13-22(14-16-23)21-11-9-20(7-4-2)10-12-21/h3,5,9-19H,4,6-8H2,1-2H3
InChIKeyUYKKDMPQZWDBQS-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.50
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-1-pentyl-4-(4-propylphenyl)benzene
CID 67842368
4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene;1-methyl-4-[4-[(E)-pent-3-enyl]phenyl]benzene
CID 144644200
[4-[3-fluoro-4-[(E)-pent-3-enyl]phenyl]phenyl] 4-[(E)-pent-3-enyl]benzoate
CID 126610422
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-[(E)-pent-3-enyl]benzene
CID 139749267
2-fluoro-1-[(E)-pent-3-enyl]-4-[(E)-4-[4-[(E)-4-[4-[(E)-pent-3-enyl]phenyl]but-2-enyl]phenyl]but-2-enyl]benzene
CID 126610190
1-(4-ethylphenyl)-2-fluoro-4-(4-pent-3-enylphenyl)benzene
CID 76678385
1-pent-3-enyl-4-propylbenzene
CID 72599491
2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene
CID 19906984
4-[3-fluoro-4-[4-[(E)-pent-3-enyl]phenyl]phenyl]benzenethiol
CID 129130534
1-[2-fluoro-4-(4-propylphenyl)phenyl]-N-methylmethanamine
CID 63424766
1-ethyl-2-fluoro-4-[(E)-pent-3-enyl]benzene
CID 89277560
1-pent-3-enyl-4-(4-pent-3-enylphenyl)benzene
CID 76695097

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene?
The IUPAC name of 2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene (CID 76621394) is 2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene.
What is the SMILES notation for 2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene?
The canonical SMILES for 2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene is CC=CCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cc2)cc1F.
What is the InChIKey of 2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene?
The InChIKey is UYKKDMPQZWDBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F/c1-3-5-6-8-24-17-18-25(19-26(24)27)23-15-13-22(14-16-23)21-11-9-20(7-4-2)10-12-21/h3,5,9-19H,4,6-8H2,1-2H3.
What are the key properties of 2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene?
2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene has a molecular weight of 358.50 g/mol, XLogP of 7.62, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-pent-3-enyl-4-[4-(4-propylphenyl)phenyl]benzene is sourced from PubChem (CID 76621394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).