2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene

C26H23F3O — CID 139862619

IUPAC2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
SMILESC=CCCc1ccc(C(F)=C(F)c2ccc3c(F)c(OCC=CC)ccc3c2)cc1
InChIInChI=1S/C26H23F3O/c1-3-5-7-18-8-10-19(11-9-18)24(27)25(28)21-12-14-22-20(17-21)13-15-23(26(22)29)30-16-6-4-2/h3-4,6,8-15,17H,1,5,7,16H2,2H3
InChIKeyLTEYBAAQVGTQKH-UHFFFAOYSA-N
MW408.46 g/mol
LogP7.82
Rot. Bonds8

About 2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene

2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene (PubChem CID 139862619) has the molecular formula C26H23F3O and a molecular weight of 408.46 g/mol. Its IUPAC name is 2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene.

Molecular Properties

Compound Name2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
PubChem CID139862619
Molecular FormulaC26H23F3O
Molecular Weight408.46 g/mol
Exact Mass408.17
IUPAC Name2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
SMILESC=CCCc1ccc(C(F)=C(F)c2ccc3c(F)c(OCC=CC)ccc3c2)cc1
InChIInChI=1S/C26H23F3O/c1-3-5-7-18-8-10-19(11-9-18)24(27)25(28)21-12-14-22-20(17-21)13-15-23(26(22)29)30-16-6-4-2/h3-4,6,8-15,17H,1,5,7,16H2,2H3
InChIKeyLTEYBAAQVGTQKH-UHFFFAOYSA-N
XLogP7.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.46
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-but-2-enoxy-6-(4-but-3-enylphenyl)-1-fluoronaphthalene
CID 139863269
6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoro-2-prop-2-enoxynaphthalene
CID 139862919
7-but-2-enoxy-3-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]phenyl]ethenyl]-1,2,8-trifluoronaphthalene
CID 139861981
2-ethoxy-6-[2-(4-ethylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene
CID 139863148
6-but-3-enyl-2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-1-fluoronaphthalene
CID 139862628
3-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-7-ethoxy-1,2,8-trifluoronaphthalene
CID 139862957
2-but-2-enoxy-1-fluoro-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139862289
2-[2-(4-but-2-enoxyphenyl)-1,2-difluoroethenyl]-1-fluoro-6-pentylnaphthalene
CID 139864068
2-but-3-enyl-6-[1,2-difluoro-2-[4-[(E)-pent-3-enyl]cyclohexyl]ethenyl]-1-fluoronaphthalene
CID 139860885
1-fluoro-2-prop-2-enoxy-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexyl]ethyl]naphthalene
CID 139860513
2-but-3-enyl-1-fluoro-6-[2-[4-[2-[4-[(E)-pent-3-enyl]phenyl]ethynyl]phenyl]ethynyl]naphthalene
CID 139876225
6-but-2-enoxy-2-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene
CID 139864036

Frequently Asked Questions

What is the IUPAC name of 2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene?
The IUPAC name of 2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene (CID 139862619) is 2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene.
What is the SMILES notation for 2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene?
The canonical SMILES for 2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene is C=CCCc1ccc(C(F)=C(F)c2ccc3c(F)c(OCC=CC)ccc3c2)cc1.
What is the InChIKey of 2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene?
The InChIKey is LTEYBAAQVGTQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3O/c1-3-5-7-18-8-10-19(11-9-18)24(27)25(28)21-12-14-22-20(17-21)13-15-23(26(22)29)30-16-6-4-2/h3-4,6,8-15,17H,1,5,7,16H2,2H3.
What are the key properties of 2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene?
2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene has a molecular weight of 408.46 g/mol, XLogP of 7.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-2-enoxy-6-[2-(4-but-3-enylphenyl)-1,2-difluoroethenyl]-1-fluoronaphthalene is sourced from PubChem (CID 139862619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).