2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene

C26H28F2 — CID 139862213

IUPAC2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene
SMILESCCCCCc1ccc2cc(C(F)=C(F)c3ccc(CCC)cc3)ccc2c1
InChIInChI=1S/C26H28F2/c1-3-5-6-8-20-11-14-23-18-24(16-15-22(23)17-20)26(28)25(27)21-12-9-19(7-4-2)10-13-21/h9-18H,3-8H2,1-2H3
InChIKeyZUWVKLIVESWLNZ-UHFFFAOYSA-N
MW378.51 g/mol
LogP8.29
Rot. Bonds8

About 2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene

2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene (PubChem CID 139862213) has the molecular formula C26H28F2 and a molecular weight of 378.51 g/mol. Its IUPAC name is 2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene.

Molecular Properties

Compound Name2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene
PubChem CID139862213
Molecular FormulaC26H28F2
Molecular Weight378.51 g/mol
Exact Mass378.22
IUPAC Name2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene
SMILESCCCCCc1ccc2cc(C(F)=C(F)c3ccc(CCC)cc3)ccc2c1
InChIInChI=1S/C26H28F2/c1-3-5-6-8-20-11-14-23-18-24(16-15-22(23)17-20)26(28)25(27)21-12-9-19(7-4-2)10-13-21/h9-18H,3-8H2,1-2H3
InChIKeyZUWVKLIVESWLNZ-UHFFFAOYSA-N
XLogP8.29
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.51
LogP ≤ 58.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[(E)-1,2-difluoro-2-(4-heptylphenyl)ethenyl]-4-(4-nonylphenyl)benzene
CID 101164574
2-butyl-6-propylnaphthalene
CID 58232616
2-butyl-6-propylnaphthalene;propane
CID 123540121
2-hexyl-6-[1-(6-hexylnaphthalen-2-yl)ethenyl]anthracene
CID 175592722
2-[2-(4-butyl-2-ethylphenyl)ethynyl]-6-[2-(4-butylphenyl)-1,2-difluoroethenyl]naphthalene
CID 77411423
1-[(E)-2-(4-ethylphenyl)-1,2-difluoroethenyl]-2-fluoro-4-pentylbenzene
CID 139790705
1-[2-(4-butylphenyl)ethynyl]-4-[(E)-1,2-difluoro-2-(4-propylphenyl)ethenyl]-2-ethylbenzene
CID 122420807
1-decyl-4-[2-[4-[(E)-1,2-difluoronon-1-enyl]phenyl]ethyl]benzene
CID 70029827
ethane;2-hexylnaphthalene
CID 142191207
2-octylanthracene
CID 23131226
1-[(E)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene
CID 70184913
1-[(Z)-1,2-difluoronon-1-enyl]-4-(4-nonylphenyl)benzene
CID 22123920

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene?
The IUPAC name of 2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene (CID 139862213) is 2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene.
What is the SMILES notation for 2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene?
The canonical SMILES for 2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene is CCCCCc1ccc2cc(C(F)=C(F)c3ccc(CCC)cc3)ccc2c1.
What is the InChIKey of 2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene?
The InChIKey is ZUWVKLIVESWLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2/c1-3-5-6-8-20-11-14-23-18-24(16-15-22(23)17-20)26(28)25(27)21-12-9-19(7-4-2)10-13-21/h9-18H,3-8H2,1-2H3.
What are the key properties of 2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene?
2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene has a molecular weight of 378.51 g/mol, XLogP of 8.29, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-difluoro-2-(4-propylphenyl)ethenyl]-6-pentylnaphthalene is sourced from PubChem (CID 139862213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).