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

C28H37FO — CID 139863649

IUPAC2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-ethoxy-1-fluoronaphthalene
SMILESC=CC1CCC(C2CCC(CCc3ccc4cc(OCC)ccc4c3F)CC2)CC1
InChIInChI=1S/C28H37FO/c1-3-20-5-10-22(11-6-20)23-12-7-21(8-13-23)9-14-24-15-16-25-19-26(30-4-2)17-18-27(25)28(24)29/h3,15-23H,1,4-14H2,2H3
InChIKeyDXLSBEDIZYETRE-UHFFFAOYSA-N
MW408.60 g/mol
LogP8.11
Rot. Bonds7

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

2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-ethoxy-1-fluoronaphthalene (PubChem CID 139863649) has the molecular formula C28H37FO and a molecular weight of 408.60 g/mol. Its IUPAC name is 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-ethoxy-1-fluoronaphthalene.

Molecular Properties

Compound Name2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-ethoxy-1-fluoronaphthalene
PubChem CID139863649
Molecular FormulaC28H37FO
Molecular Weight408.60 g/mol
Exact Mass408.28
IUPAC Name2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-ethoxy-1-fluoronaphthalene
SMILESC=CC1CCC(C2CCC(CCc3ccc4cc(OCC)ccc4c3F)CC2)CC1
InChIInChI=1S/C28H37FO/c1-3-20-5-10-22(11-6-20)23-12-7-21(8-13-23)9-14-24-15-16-25-19-26(30-4-2)17-18-27(25)28(24)29/h3,15-23H,1,4-14H2,2H3
InChIKeyDXLSBEDIZYETRE-UHFFFAOYSA-N
XLogP8.11
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 ≤ 58.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-but-3-enyl-4-(4-propylcyclohexyl)cyclohexane;3-[2-[4-(4-butylcyclohexyl)cyclohexyl]ethyl]-7-ethoxy-1,2-difluoronaphthalene;1-ethenyl-4-(4-pentylcyclohexyl)cyclohexane
CID 160986284
1-[2-[4-[4-(4-ethenylcyclohexyl)cyclohexyl]cyclohexyl]ethyl]-2,3-difluoro-4-propylbenzene
CID 154607349
6-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139861536
3-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-1,2-difluoro-7-propylnaphthalene
CID 139861865
6-ethyl-1-fluoro-2-[2-[4-(4-propylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139863827
6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-2-ethoxy-1-fluoronaphthalene
CID 139862840
2-but-3-enyl-1-fluoro-6-[2-[4-(4-pentylcyclohexyl)cyclohexyl]ethyl]naphthalene
CID 139862364
2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-methoxynaphthalene
CID 139861327
2-but-3-enyl-6-[4-[2-(4-ethenylcyclohexyl)ethyl]cyclohexyl]-1-fluoronaphthalene
CID 139862071
2-[4-(4-but-3-enylcyclohexyl)cyclohexyl]-1-fluoro-6-prop-2-enoxynaphthalene
CID 139860510
2-(4-ethenylcyclohexyl)-5-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]oxane
CID 58535498
5-ethenyl-2-[4-[2-[4-(4-ethoxy-2,3-difluorophenyl)-2,3-difluorophenyl]ethyl]cyclohexyl]oxane
CID 58535399

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-ethoxy-1-fluoronaphthalene?
The IUPAC name of 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-ethoxy-1-fluoronaphthalene (CID 139863649) is 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-ethoxy-1-fluoronaphthalene.
What is the SMILES notation for 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-ethoxy-1-fluoronaphthalene?
The canonical SMILES for 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-ethoxy-1-fluoronaphthalene is C=CC1CCC(C2CCC(CCc3ccc4cc(OCC)ccc4c3F)CC2)CC1.
What is the InChIKey of 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-ethoxy-1-fluoronaphthalene?
The InChIKey is DXLSBEDIZYETRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FO/c1-3-20-5-10-22(11-6-20)23-12-7-21(8-13-23)9-14-24-15-16-25-19-26(30-4-2)17-18-27(25)28(24)29/h3,15-23H,1,4-14H2,2H3.
What are the key properties of 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-ethoxy-1-fluoronaphthalene?
2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-ethoxy-1-fluoronaphthalene has a molecular weight of 408.60 g/mol, XLogP of 8.11, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(4-ethenylcyclohexyl)cyclohexyl]ethyl]-6-ethoxy-1-fluoronaphthalene is sourced from PubChem (CID 139863649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).