3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene

C20H22F2 — CID 139862965

IUPAC3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene
SMILESC=CC1CCC(c2cc3ccc(CC)cc3c(F)c2F)CC1
InChIInChI=1S/C20H22F2/c1-3-13-5-8-15(9-6-13)18-12-16-10-7-14(4-2)11-17(16)19(21)20(18)22/h3,7,10-13,15H,1,4-6,8-9H2,2H3
InChIKeyPZOXUKPIGALCTQ-UHFFFAOYSA-N
MW300.39 g/mol
LogP6.14
Rot. Bonds3

About 3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene

3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene (PubChem CID 139862965) has the molecular formula C20H22F2 and a molecular weight of 300.39 g/mol. Its IUPAC name is 3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene.

Molecular Properties

Compound Name3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene
PubChem CID139862965
Molecular FormulaC20H22F2
Molecular Weight300.39 g/mol
Exact Mass300.17
IUPAC Name3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene
SMILESC=CC1CCC(c2cc3ccc(CC)cc3c(F)c2F)CC1
InChIInChI=1S/C20H22F2/c1-3-13-5-8-15(9-6-13)18-12-16-10-7-14(4-2)11-17(16)19(21)20(18)22/h3,7,10-13,15H,1,4-6,8-9H2,2H3
InChIKeyPZOXUKPIGALCTQ-UHFFFAOYSA-N
XLogP6.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.39
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene?
The IUPAC name of 3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene (CID 139862965) is 3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene.
What is the SMILES notation for 3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene?
The canonical SMILES for 3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene is C=CC1CCC(c2cc3ccc(CC)cc3c(F)c2F)CC1.
What is the InChIKey of 3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene?
The InChIKey is PZOXUKPIGALCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2/c1-3-13-5-8-15(9-6-13)18-12-16-10-7-14(4-2)11-17(16)19(21)20(18)22/h3,7,10-13,15H,1,4-6,8-9H2,2H3.
What are the key properties of 3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene?
3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene has a molecular weight of 300.39 g/mol, XLogP of 6.14, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene is sourced from PubChem (CID 139862965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).