7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene

C24H21F3 — CID 139861232

IUPAC7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene
SMILESC=CCCc1ccc(-c2cc3ccc(CCC=C)c(F)c3c(F)c2F)cc1
InChIInChI=1S/C24H21F3/c1-3-5-7-16-9-11-17(12-10-16)20-15-19-14-13-18(8-6-4-2)22(25)21(19)24(27)23(20)26/h3-4,9-15H,1-2,5-8H2
InChIKeyDRLGEFGREMBJNG-UHFFFAOYSA-N
MW366.43 g/mol
LogP7.16
Rot. Bonds7

About 7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene

7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene (PubChem CID 139861232) has the molecular formula C24H21F3 and a molecular weight of 366.43 g/mol. Its IUPAC name is 7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene.

Molecular Properties

Compound Name7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene
PubChem CID139861232
Molecular FormulaC24H21F3
Molecular Weight366.43 g/mol
Exact Mass366.16
IUPAC Name7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene
SMILESC=CCCc1ccc(-c2cc3ccc(CCC=C)c(F)c3c(F)c2F)cc1
InChIInChI=1S/C24H21F3/c1-3-5-7-16-9-11-17(12-10-16)20-15-19-14-13-18(8-6-4-2)22(25)21(19)24(27)23(20)26/h3-4,9-15H,1-2,5-8H2
InChIKeyDRLGEFGREMBJNG-UHFFFAOYSA-N
XLogP7.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.43
LogP ≤ 57.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,8-trifluoro-3-(4-pentylphenyl)-7-propylnaphthalene
CID 139864133
1,2,8-trifluoro-7-pentyl-3-(4-propylphenyl)naphthalene
CID 139861938
3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139861073
7-but-3-enyl-3-(4-ethylphenyl)-1,2-difluoronaphthalene
CID 139862852
3-(4-but-3-enylphenyl)-1,2-difluoro-7-methoxynaphthalene
CID 139860462
3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoro-7-[(E)-pent-3-enyl]naphthalene
CID 139861346
3-[4-(4-ethenylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139863852
1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene
CID 139863615
1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-pentylnaphthalene
CID 139861400
7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene
CID 139862731
1-but-3-enyl-4-(4-fluorophenyl)benzene
CID 59812328
2-but-3-enyl-1-fluoro-6-[2-[4-(4-heptylphenyl)phenyl]ethynyl]naphthalene
CID 139877448

Frequently Asked Questions

What is the IUPAC name of 7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene?
The IUPAC name of 7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene (CID 139861232) is 7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene.
What is the SMILES notation for 7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene?
The canonical SMILES for 7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene is C=CCCc1ccc(-c2cc3ccc(CCC=C)c(F)c3c(F)c2F)cc1.
What is the InChIKey of 7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene?
The InChIKey is DRLGEFGREMBJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3/c1-3-5-7-16-9-11-17(12-10-16)20-15-19-14-13-18(8-6-4-2)22(25)21(19)24(27)23(20)26/h3-4,9-15H,1-2,5-8H2.
What are the key properties of 7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene?
7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene has a molecular weight of 366.43 g/mol, XLogP of 7.16, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene is sourced from PubChem (CID 139861232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).