6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene

C28H37FO — CID 139862840

IUPAC6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene
SMILESC=CC1CCC(CCC2CCC(c3ccc4c(F)c(OCC)ccc4c3)CC2)CC1
InChIInChI=1S/C28H37FO/c1-3-20-5-7-21(8-6-20)9-10-22-11-13-23(14-12-22)24-15-17-26-25(19-24)16-18-27(28(26)29)30-4-2/h3,15-23H,1,4-14H2,2H3
InChIKeyVACUDVXTWXEUBY-UHFFFAOYSA-N
MW408.60 g/mol
LogP8.42
Rot. Bonds7

About 6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene

6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene (PubChem CID 139862840) has the molecular formula C28H37FO and a molecular weight of 408.60 g/mol. Its IUPAC name is 6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene.

Molecular Properties

Compound Name6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene
PubChem CID139862840
Molecular FormulaC28H37FO
Molecular Weight408.60 g/mol
Exact Mass408.28
IUPAC Name6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene
SMILESC=CC1CCC(CCC2CCC(c3ccc4c(F)c(OCC)ccc4c3)CC2)CC1
InChIInChI=1S/C28H37FO/c1-3-20-5-7-21(8-6-20)9-10-22-11-13-23(14-12-22)24-15-17-26-25(19-24)16-18-27(28(26)29)30-4-2/h3,15-23H,1,4-14H2,2H3
InChIKeyVACUDVXTWXEUBY-UHFFFAOYSA-N
XLogP8.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.60
LogP ≤ 58.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene
CID 139861263
7-(4-but-3-enylcyclohexyl)-3-ethoxy-1,2-difluoronaphthalene
CID 139860599
2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene
CID 139862071
4-(4-ethenylcyclohexyl)-1-ethoxy-2-fluorobenzene
CID 71422813
6-(6-ethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1-fluoro-2-prop-2-enoxynaphthalene
CID 22384766
1-[[4-[4-(4-but-3-enylcyclohexyl)phenyl]cyclohexyl]methoxy]-4-ethoxy-2,3-difluorobenzene
CID 154607274
2-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-6-prop-2-enoxynaphthalene
CID 139863124
1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene
CID 139862174
6-[(2R,4aR)-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1-fluoro-2-prop-2-enoxynaphthalene
CID 20807788
2-but-3-enyl-6-(4-ethenylcyclohexyl)-1-fluoronaphthalene
CID 139862169
6-(4-but-3-enylcyclohexyl)-1-fluoro-2-pentylnaphthalene
CID 139860678
2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-ethoxy-1-fluoronaphthalene
CID 139863649

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene?
The IUPAC name of 6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene (CID 139862840) is 6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene.
What is the SMILES notation for 6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene?
The canonical SMILES for 6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene is C=CC1CCC(CCC2CCC(c3ccc4c(F)c(OCC)ccc4c3)CC2)CC1.
What is the InChIKey of 6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene?
The InChIKey is VACUDVXTWXEUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FO/c1-3-20-5-7-21(8-6-20)9-10-22-11-13-23(14-12-22)24-15-17-26-25(19-24)16-18-27(28(26)29)30-4-2/h3,15-23H,1,4-14H2,2H3.
What are the key properties of 6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene?
6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene has a molecular weight of 408.60 g/mol, XLogP of 8.42, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene is sourced from PubChem (CID 139862840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).