6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene

C25H23F3 — CID 139862628

IUPAC6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene
SMILESC=CCCc1ccc2c(F)c(C(F)=C(F)c3ccc(CCC)cc3)ccc2c1
InChIInChI=1S/C25H23F3/c1-3-5-7-18-10-14-21-20(16-18)13-15-22(24(21)27)25(28)23(26)19-11-8-17(6-4-2)9-12-19/h3,8-16H,1,4-7H2,2H3
InChIKeyFICQYZFYJSNYLV-UHFFFAOYSA-N
MW380.45 g/mol
LogP7.81
Rot. Bonds7

About 6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene

6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene (PubChem CID 139862628) has the molecular formula C25H23F3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene.

Molecular Properties

Compound Name6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene
PubChem CID139862628
Molecular FormulaC25H23F3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene
SMILESC=CCCc1ccc2c(F)c(C(F)=C(F)c3ccc(CCC)cc3)ccc2c1
InChIInChI=1S/C25H23F3/c1-3-5-7-18-10-14-21-20(16-18)13-15-22(24(21)27)25(28)23(26)19-11-8-17(6-4-2)9-12-19/h3,8-16H,1,4-7H2,2H3
InChIKeyFICQYZFYJSNYLV-UHFFFAOYSA-N
XLogP7.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.45
LogP ≤ 57.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[4-[2-(4-but-3-enylphenyl)ethynyl]phenyl]ethynyl]-1-fluoro-6-propylnaphthalene
CID 139876195
2-[2-[4-(4-but-3-enylphenyl)phenyl]ethynyl]-1-fluoro-6-propylnaphthalene
CID 139877478
2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
CID 139862619
2-[2-(4-but-2-enoxyphenyl)-1,2-difluoroethenyl]-1-fluoro-6-pentylnaphthalene
CID 139864068
2-[2-(4-ethoxyphenyl)-1,2-difluoroethenyl]-6-ethyl-1-fluoronaphthalene
CID 139864021
3-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-7-ethoxy-1,2,8-trifluoronaphthalene
CID 139862957
2-[2-(4-but-3-enylphenyl)ethynyl]-1-fluoro-6-[2-(4-propylphenyl)ethynyl]naphthalene
CID 139876095
7-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-3-ethoxy-1,2,8-trifluoronaphthalene
CID 139862507
2-(4-but-3-enylphenyl)-3-(difluoromethoxy)-1-fluoro-6-propylnaphthalene
CID 139863755
1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-propylbenzene
CID 139790762
6-but-3-enyl-2-[2-[4-[2-(4-ethylphenyl)ethyl]phenyl]ethynyl]-1-fluoronaphthalene
CID 139876866
2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene
CID 139862213

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene?
The IUPAC name of 6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene (CID 139862628) is 6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene.
What is the SMILES notation for 6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene?
The canonical SMILES for 6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene is C=CCCc1ccc2c(F)c(C(F)=C(F)c3ccc(CCC)cc3)ccc2c1.
What is the InChIKey of 6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene?
The InChIKey is FICQYZFYJSNYLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3/c1-3-5-7-18-10-14-21-20(16-18)13-15-22(24(21)27)25(28)23(26)19-11-8-17(6-4-2)9-12-19/h3,8-16H,1,4-7H2,2H3.
What are the key properties of 6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene?
6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene has a molecular weight of 380.45 g/mol, XLogP of 7.81, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene is sourced from PubChem (CID 139862628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).