2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene

C28H33F — CID 139861214

IUPAC2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene
SMILESCCc1ccc2cc(CCc3ccc(C4CCC(CC)CC4)cc3)ccc2c1F
InChIInChI=1S/C28H33F/c1-3-20-7-12-24(13-8-20)25-14-9-21(10-15-25)5-6-22-11-18-27-26(19-22)17-16-23(4-2)28(27)29/h9-11,14-20,24H,3-8,12-13H2,1-2H3
InChIKeyRAZJMRNVDKEDAE-UHFFFAOYSA-N
MW388.57 g/mol
LogP8.01
Rot. Bonds6

About 2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene

2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene (PubChem CID 139861214) has the molecular formula C28H33F and a molecular weight of 388.57 g/mol. Its IUPAC name is 2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene.

Molecular Properties

Compound Name2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene
PubChem CID139861214
Molecular FormulaC28H33F
Molecular Weight388.57 g/mol
Exact Mass388.26
IUPAC Name2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene
SMILESCCc1ccc2cc(CCc3ccc(C4CCC(CC)CC4)cc3)ccc2c1F
InChIInChI=1S/C28H33F/c1-3-20-7-12-24(13-8-20)25-14-9-21(10-15-25)5-6-22-11-18-27-26(19-22)17-16-23(4-2)28(27)29/h9-11,14-20,24H,3-8,12-13H2,1-2H3
InChIKeyRAZJMRNVDKEDAE-UHFFFAOYSA-N
XLogP8.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.57
LogP ≤ 58.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

6-(4-ethylcyclohexyl)-1-fluoro-2-[2-[4-(trifluoromethyl)phenyl]ethyl]naphthalene
CID 139874807
6-(4-ethylcyclohexyl)-1-fluoro-2-propylnaphthalene
CID 139864046
1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139863811
6-[2-[4-(4-ethylcyclohexyl)phenyl]ethynyl]-1-fluoro-2-propylnaphthalene
CID 139877146
2-[2-(4-chloro-3-fluorophenyl)ethyl]-6-[2-(4-ethylcyclohexyl)ethyl]-1-fluoronaphthalene
CID 139872664
6-[4-[2-(4-ethylcyclohexyl)ethyl]cyclohexyl]-1-fluoro-2-[(E)-pent-3-enyl]naphthalene
CID 139860944
2-[2-[4-(4-ethylcyclohexyl)cyclohexyl]ethyl]-1-fluoro-6-pentylnaphthalene
CID 139861709
1-fluoro-2-[2-[3-fluoro-4-(trifluoromethyl)phenyl]ethyl]-6-(4-propylcyclohexyl)naphthalene
CID 139873665
2-[2-(3,4-difluorophenyl)ethyl]-1-fluoro-6-[4-(methoxymethyl)cyclohexyl]naphthalene
CID 139874229
6-[4-[2-(4-ethylcyclohexyl)ethyl]phenyl]-1-fluoro-2-propylnaphthalene
CID 139861143
6-[2-[4-[2-(4-butylcyclohexyl)ethyl]phenyl]ethynyl]-2-ethyl-1-fluoronaphthalene
CID 139876991
1-fluoro-6-[2-[4-(4-pentylcyclohexyl)phenyl]ethyl]-2-prop-2-enoxynaphthalene
CID 139862174

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene?
The IUPAC name of 2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene (CID 139861214) is 2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene.
What is the SMILES notation for 2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene?
The canonical SMILES for 2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene is CCc1ccc2cc(CCc3ccc(C4CCC(CC)CC4)cc3)ccc2c1F.
What is the InChIKey of 2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene?
The InChIKey is RAZJMRNVDKEDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33F/c1-3-20-7-12-24(13-8-20)25-14-9-21(10-15-25)5-6-22-11-18-27-26(19-22)17-16-23(4-2)28(27)29/h9-11,14-20,24H,3-8,12-13H2,1-2H3.
What are the key properties of 2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene?
2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene has a molecular weight of 388.57 g/mol, XLogP of 8.01, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-[2-[4-(4-ethylcyclohexyl)phenyl]ethyl]-1-fluoronaphthalene is sourced from PubChem (CID 139861214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).