7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene

C28H27F3 — CID 139862731

IUPAC7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene
SMILESC=Cc1ccc2cc(-c3ccc(CCC4CCC(C=C)CC4)cc3)c(F)c(F)c2c1F
InChIInChI=1S/C28H27F3/c1-3-18-5-7-19(8-6-18)9-10-20-11-13-22(14-12-20)24-17-23-16-15-21(4-2)26(29)25(23)28(31)27(24)30/h3-4,11-19H,1-2,5-10H2
InChIKeyUUIMQONCEQEECE-UHFFFAOYSA-N
MW420.52 g/mol
LogP8.49
Rot. Bonds6

About 7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene

7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene (PubChem CID 139862731) has the molecular formula C28H27F3 and a molecular weight of 420.52 g/mol. Its IUPAC name is 7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene.

Molecular Properties

Compound Name7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene
PubChem CID139862731
Molecular FormulaC28H27F3
Molecular Weight420.52 g/mol
Exact Mass420.21
IUPAC Name7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene
SMILESC=Cc1ccc2cc(-c3ccc(CCC4CCC(C=C)CC4)cc3)c(F)c(F)c2c1F
InChIInChI=1S/C28H27F3/c1-3-18-5-7-19(8-6-18)9-10-20-11-13-22(14-12-20)24-17-23-16-15-21(4-2)26(29)25(23)28(31)27(24)30/h3-4,11-19H,1-2,5-10H2
InChIKeyUUIMQONCEQEECE-UHFFFAOYSA-N
XLogP8.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.52
LogP ≤ 58.49
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-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139861073
1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-[(E)-prop-1-enyl]naphthalene
CID 139862727
3-ethenyl-1,2,8-trifluoro-7-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]naphthalene
CID 139861882
1-[4-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]phenyl]-4-ethoxy-2,3-difluorobenzene
CID 154607090
1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-propylnaphthalene
CID 139863615
3-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoro-7-[(E)-pent-3-enyl]naphthalene
CID 139861346
1,2,8-trifluoro-3-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]-7-pentylnaphthalene
CID 139861400
2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-6-[(E)-prop-1-enyl]naphthalene
CID 139861903
3-[4-(4-ethenylcyclohexyl)phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139863852
7-but-3-enyl-3-(4-but-3-enylphenyl)-1,2,8-trifluoronaphthalene
CID 139861232
6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
CID 139861325
1-[2-(4-ethenylcyclohexyl)ethyl]-4-[4-(3-methoxypropyl)phenyl]benzene
CID 57241034

Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene?
The IUPAC name of 7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene (CID 139862731) is 7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene.
What is the SMILES notation for 7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene?
The canonical SMILES for 7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene is C=Cc1ccc2cc(-c3ccc(CCC4CCC(C=C)CC4)cc3)c(F)c(F)c2c1F.
What is the InChIKey of 7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene?
The InChIKey is UUIMQONCEQEECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27F3/c1-3-18-5-7-19(8-6-18)9-10-20-11-13-22(14-12-20)24-17-23-16-15-21(4-2)26(29)25(23)28(31)27(24)30/h3-4,11-19H,1-2,5-10H2.
What are the key properties of 7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene?
7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene has a molecular weight of 420.52 g/mol, XLogP of 8.49, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene is sourced from PubChem (CID 139862731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).