6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene

C29H33F — CID 139861325

IUPAC6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
SMILESC=Cc1ccc2c(F)c(-c3ccc(CCC4CCC(CCC)CC4)cc3)ccc2c1
InChIInChI=1S/C29H33F/c1-3-5-22-6-8-23(9-7-22)10-11-24-12-15-25(16-13-24)27-19-17-26-20-21(4-2)14-18-28(26)29(27)30/h4,12-20,22-23H,2-3,5-11H2,1H3
InChIKeyWEHAJQYMHPODBP-UHFFFAOYSA-N
MW400.58 g/mol
LogP8.83
Rot. Bonds7

About 6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene

6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene (PubChem CID 139861325) has the molecular formula C29H33F and a molecular weight of 400.58 g/mol. Its IUPAC name is 6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene.

Molecular Properties

Compound Name6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
PubChem CID139861325
Molecular FormulaC29H33F
Molecular Weight400.58 g/mol
Exact Mass400.26
IUPAC Name6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
SMILESC=Cc1ccc2c(F)c(-c3ccc(CCC4CCC(CCC)CC4)cc3)ccc2c1
InChIInChI=1S/C29H33F/c1-3-5-22-6-8-23(9-7-22)10-11-24-12-15-25(16-13-24)27-19-17-26-20-21(4-2)14-18-28(26)29(27)30/h4,12-20,22-23H,2-3,5-11H2,1H3
InChIKeyWEHAJQYMHPODBP-UHFFFAOYSA-N
XLogP8.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.58
LogP ≤ 58.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-ethyl-1-fluoro-2-[4-[2-[4-[(E)-prop-1-enyl]cyclohexyl]ethyl]phenyl]naphthalene
CID 139861661
1-fluoro-2-pentyl-6-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene
CID 139861681
6-but-3-enyl-1-fluoro-2-[2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]ethynyl]naphthalene
CID 139876482
6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene
CID 139861143
3-ethenyl-1,2,8-trifluoro-7-[4-[2-[4-[(E)-pent-3-enyl]cyclohexyl]ethyl]phenyl]naphthalene
CID 139861882
3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoro-7-propylnaphthalene
CID 139861073
1-(4-ethylphenyl)-2,3-difluoro-4-[2-(4-propylcyclohexyl)ethyl]benzene
CID 67895695
2,3-difluoro-1-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]phenyl]-4-propylbenzene
CID 154607322
2-[2-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]ethynyl]-1-fluoro-6-propylnaphthalene
CID 139876531
1-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]-2,3-difluoro-4-prop-2-enoxybenzene
CID 102290250
1-[4-[4-[2-(4-but-3-enylcyclohexyl)ethyl]phenyl]phenyl]-2,3-difluoro-4-pentylbenzene
CID 154607339
7-ethenyl-3-[4-[2-(4-ethenylcyclohexyl)ethyl]phenyl]-1,2,8-trifluoronaphthalene
CID 139862731

Frequently Asked Questions

What is the IUPAC name of 6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene?
The IUPAC name of 6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene (CID 139861325) is 6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene.
What is the SMILES notation for 6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene?
The canonical SMILES for 6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene is C=Cc1ccc2c(F)c(-c3ccc(CCC4CCC(CCC)CC4)cc3)ccc2c1.
What is the InChIKey of 6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene?
The InChIKey is WEHAJQYMHPODBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F/c1-3-5-22-6-8-23(9-7-22)10-11-24-12-15-25(16-13-24)27-19-17-26-20-21(4-2)14-18-28(26)29(27)30/h4,12-20,22-23H,2-3,5-11H2,1H3.
What are the key properties of 6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene?
6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene has a molecular weight of 400.58 g/mol, XLogP of 8.83, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethenyl-1-fluoro-2-[4-[2-(4-propylcyclohexyl)ethyl]phenyl]naphthalene is sourced from PubChem (CID 139861325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).