2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene

C23H17F7 — CID 139855232

IUPAC2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene
SMILESCCCCCc1cc(F)c(-c2cc(F)c3c(F)c(C=C(F)F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C23H17F7/c1-2-3-4-5-12-6-17(25)21(18(26)7-12)13-8-14-9-16(24)15(11-20(28)29)23(30)22(14)19(27)10-13/h6-11H,2-5H2,1H3
InChIKeyCQKZVQBJQPVSLI-UHFFFAOYSA-N
MW426.38 g/mol
LogP8.17
Rot. Bonds6

About 2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene

2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene (PubChem CID 139855232) has the molecular formula C23H17F7 and a molecular weight of 426.38 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene
PubChem CID139855232
Molecular FormulaC23H17F7
Molecular Weight426.38 g/mol
Exact Mass426.12
IUPAC Name2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene
SMILESCCCCCc1cc(F)c(-c2cc(F)c3c(F)c(C=C(F)F)c(F)cc3c2)c(F)c1
InChIInChI=1S/C23H17F7/c1-2-3-4-5-12-6-17(25)21(18(26)7-12)13-8-14-9-16(24)15(11-20(28)29)23(30)22(14)19(27)10-13/h6-11H,2-5H2,1H3
InChIKeyCQKZVQBJQPVSLI-UHFFFAOYSA-N
XLogP8.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.38
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-difluoroethenyl)-6-[2,6-difluoro-4-(2-fluoro-4-pentylphenyl)phenyl]-1,3-difluoronaphthalene
CID 139855817
6-(4-butyl-2,6-difluorophenyl)-1,2,3,8-tetrafluoronaphthalene
CID 139847349
2-(2,2-difluoroethenyl)-1,3-difluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene
CID 139856184
2-(2,2-difluoroethenyl)-6-(4-ethoxyphenyl)-1,3,8-trifluoronaphthalene
CID 139855756
2-(2,2-difluoroethenyl)-6-[2-(2,6-difluoro-4-heptylphenyl)ethyl]-1,3-difluoronaphthalene
CID 139855835
6-(4-butyl-2,6-difluorophenyl)-1,8-difluoronaphthalen-2-ol
CID 139849915
[6-(2,6-difluoro-4-pentylphenyl)-1,8-difluoronaphthalen-2-yl] trifluoromethanesulfonate
CID 139849944
6-[4-(2,6-difluoro-4-pentylphenyl)-2-fluorophenyl]-2,3-difluoronaphthalene
CID 139847069
1-[4-(2,6-difluoro-4-pentylphenyl)-2-fluorophenyl]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 118593552
2-(difluoromethoxy)-6-(2,6-difluoro-4-propylphenyl)-1,3,8-trifluoronaphthalene
CID 139855442
2-(2,2-difluoroethenyl)-1-fluoro-6-[2-fluoro-4-(2-fluoro-4-pentylphenyl)phenyl]naphthalene
CID 139855966
1,8-difluoro-6-(4-pentylphenyl)naphthalen-2-ol
CID 139849886

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene?
The IUPAC name of 2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene (CID 139855232) is 2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene?
The canonical SMILES for 2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene is CCCCCc1cc(F)c(-c2cc(F)c3c(F)c(C=C(F)F)c(F)cc3c2)c(F)c1.
What is the InChIKey of 2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene?
The InChIKey is CQKZVQBJQPVSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F7/c1-2-3-4-5-12-6-17(25)21(18(26)7-12)13-8-14-9-16(24)15(11-20(28)29)23(30)22(14)19(27)10-13/h6-11H,2-5H2,1H3.
What are the key properties of 2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene?
2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene has a molecular weight of 426.38 g/mol, XLogP of 8.17, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenyl)-6-(2,6-difluoro-4-pentylphenyl)-1,3,8-trifluoronaphthalene is sourced from PubChem (CID 139855232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).