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

C28H30F2 — CID 139862825

IUPAC3-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene
SMILESC=CC1CCC(c2ccc(CCc3cc4ccc(CC)cc4c(F)c3F)cc2)CC1
InChIInChI=1S/C28H30F2/c1-3-19-5-11-22(12-6-19)23-13-8-21(9-14-23)10-16-25-18-24-15-7-20(4-2)17-26(24)28(30)27(25)29/h3,7-9,13-15,17-19,22H,1,4-6,10-12,16H2,2H3
InChIKeyJPRQHJATVHRNOZ-UHFFFAOYSA-N
MW404.54 g/mol
LogP7.93
Rot. Bonds6

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

3-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene (PubChem CID 139862825) has the molecular formula C28H30F2 and a molecular weight of 404.54 g/mol. Its IUPAC name is 3-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene.

Molecular Properties

Compound Name3-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene
PubChem CID139862825
Molecular FormulaC28H30F2
Molecular Weight404.54 g/mol
Exact Mass404.23
IUPAC Name3-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene
SMILESC=CC1CCC(c2ccc(CCc3cc4ccc(CC)cc4c(F)c3F)cc2)CC1
InChIInChI=1S/C28H30F2/c1-3-19-5-11-22(12-6-19)23-13-8-21(9-14-23)10-16-25-18-24-15-7-20(4-2)17-26(24)28(30)27(25)29/h3,7-9,13-15,17-19,22H,1,4-6,10-12,16H2,2H3
InChIKeyJPRQHJATVHRNOZ-UHFFFAOYSA-N
XLogP7.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 57.93
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

3-but-3-enyl-7-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene
CID 139863503
3-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene
CID 139863740
3-(4-ethenylcyclohexyl)-7-ethyl-1,2-difluoronaphthalene
CID 139862965
3-but-3-enyl-7-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1,2-difluoronaphthalene
CID 139861848
1,2-difluoro-7-[2-[4-[4-[(E)-pent-1-enyl]cyclohexyl]phenyl]ethyl]-3-pentylnaphthalene
CID 139861566
3-[2-[4-(4-but-3-enylcyclohexyl)phenyl]ethyl]-1,2-difluoro-7-methoxynaphthalene
CID 139861474
2-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-6-propylnaphthalene
CID 139861082
3-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1,2-difluoro-7-propylnaphthalene
CID 139861865
1-[2-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]phenyl]ethyl]-4-ethoxy-2,3-difluorobenzene
CID 154607190
1,2-difluoro-7-methoxy-3-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]naphthalene
CID 139863663
6-[2-[4-(4-ethenylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
CID 139876307
2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
CID 139862169

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene?
The IUPAC name of 3-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene (CID 139862825) is 3-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene.
What is the SMILES notation for 3-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene?
The canonical SMILES for 3-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene is C=CC1CCC(c2ccc(CCc3cc4ccc(CC)cc4c(F)c3F)cc2)CC1.
What is the InChIKey of 3-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene?
The InChIKey is JPRQHJATVHRNOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2/c1-3-19-5-11-22(12-6-19)23-13-8-21(9-14-23)10-16-25-18-24-15-7-20(4-2)17-26(24)28(30)27(25)29/h3,7-9,13-15,17-19,22H,1,4-6,10-12,16H2,2H3.
What are the key properties of 3-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene?
3-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene has a molecular weight of 404.54 g/mol, XLogP of 7.93, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(4-ethenylcyclohexyl)phenyl]ethyl]-7-ethyl-1,2-difluoronaphthalene is sourced from PubChem (CID 139862825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).