2-(2,2-difluoroethenyl)-6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoronaphthalene

C26H23F3 — CID 139856505

IUPAC2-(2,2-difluoroethenyl)-6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoronaphthalene
SMILESC=CC1CCC(c2ccc(-c3ccc4c(F)c(C=C(F)F)ccc4c3)cc2)CC1
InChIInChI=1S/C26H23F3/c1-2-17-3-5-18(6-4-17)19-7-9-20(10-8-19)21-13-14-24-22(15-21)11-12-23(26(24)29)16-25(27)28/h2,7-18H,1,3-6H2
InChIKeyKAKXUSNGZZAVSZ-UHFFFAOYSA-N
MW392.46 g/mol
LogP8.34
Rot. Bonds4

About 2-(2,2-difluoroethenyl)-6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoronaphthalene

2-(2,2-difluoroethenyl)-6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoronaphthalene (PubChem CID 139856505) has the molecular formula C26H23F3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(2,2-difluoroethenyl)-6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoronaphthalene.

Molecular Properties

Compound Name2-(2,2-difluoroethenyl)-6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoronaphthalene
PubChem CID139856505
Molecular FormulaC26H23F3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(2,2-difluoroethenyl)-6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoronaphthalene
SMILESC=CC1CCC(c2ccc(-c3ccc4c(F)c(C=C(F)F)ccc4c3)cc2)CC1
InChIInChI=1S/C26H23F3/c1-2-17-3-5-18(6-4-17)19-7-9-20(10-8-19)21-13-14-24-22(15-21)11-12-23(26(24)29)16-25(27)28/h2,7-18H,1,3-6H2
InChIKeyKAKXUSNGZZAVSZ-UHFFFAOYSA-N
XLogP8.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 58.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139860851
2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
CID 139862169
1-ethenyl-4-[4-(4-ethenylcyclohexyl)phenyl]-2,3-difluorobenzene
CID 91062077
[6-(2,2-difluoroethenyl)-5-fluoronaphthalen-2-yl] 4-(4-ethoxycyclohexyl)benzoate
CID 139856192
[6-(2,2-difluoroethenyl)-5-fluoronaphthalen-2-yl] 4-(4-propylcyclohexyl)benzoate
CID 139856283
6-[2-[4-(4-ethenylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
CID 139876307
2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene
CID 139862071
2-[4-(4-cyclopropylphenyl)phenyl]-6-[4-(4-fluorophenyl)phenyl]naphthalene
CID 170293668
2-(2,2-difluoroethenyl)-6-[4-(2,6-difluoro-4-prop-2-enoxyphenyl)-2-fluorophenyl]-1-fluoronaphthalene
CID 139856163
2-[2-(4-but-3-enylphenyl)ethynyl]-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
CID 139876914
6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene
CID 139862840
5-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]-1,3-difluoro-2-methylbenzene
CID 134236125

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenyl)-6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoronaphthalene?
The IUPAC name of 2-(2,2-difluoroethenyl)-6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoronaphthalene (CID 139856505) is 2-(2,2-difluoroethenyl)-6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoronaphthalene.
What is the SMILES notation for 2-(2,2-difluoroethenyl)-6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoronaphthalene?
The canonical SMILES for 2-(2,2-difluoroethenyl)-6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoronaphthalene is C=CC1CCC(c2ccc(-c3ccc4c(F)c(C=C(F)F)ccc4c3)cc2)CC1.
What is the InChIKey of 2-(2,2-difluoroethenyl)-6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoronaphthalene?
The InChIKey is KAKXUSNGZZAVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3/c1-2-17-3-5-18(6-4-17)19-7-9-20(10-8-19)21-13-14-24-22(15-21)11-12-23(26(24)29)16-25(27)28/h2,7-18H,1,3-6H2.
What are the key properties of 2-(2,2-difluoroethenyl)-6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoronaphthalene?
2-(2,2-difluoroethenyl)-6-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoronaphthalene has a molecular weight of 392.46 g/mol, XLogP of 8.34, 4 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-[4-(4-ethenylcyclohexyl)phenyl]-1-fluoronaphthalene is sourced from PubChem (CID 139856505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).