6-[4-(4-ethylcyclohexyl)phenyl]-1,1,2,2-tetrafluoronaphthalene

C24H24F4 — CID 139850270

IUPAC6-[4-(4-ethylcyclohexyl)phenyl]-1,1,2,2-tetrafluoronaphthalene
SMILESCCC1CCC(c2ccc(-c3ccc4c(c3)C=CC(F)(F)C4(F)F)cc2)CC1
InChIInChI=1S/C24H24F4/c1-2-16-3-5-17(6-4-16)18-7-9-19(10-8-18)20-11-12-22-21(15-20)13-14-23(25,26)24(22,27)28/h7-17H,2-6H2,1H3
InChIKeyHQNOWEQAVMOJGO-UHFFFAOYSA-N
MW388.45 g/mol
LogP7.79
Rot. Bonds3

About 6-[4-(4-ethylcyclohexyl)phenyl]-1,1,2,2-tetrafluoronaphthalene

6-[4-(4-ethylcyclohexyl)phenyl]-1,1,2,2-tetrafluoronaphthalene (PubChem CID 139850270) has the molecular formula C24H24F4 and a molecular weight of 388.45 g/mol. Its IUPAC name is 6-[4-(4-ethylcyclohexyl)phenyl]-1,1,2,2-tetrafluoronaphthalene.

Molecular Properties

Compound Name6-[4-(4-ethylcyclohexyl)phenyl]-1,1,2,2-tetrafluoronaphthalene
PubChem CID139850270
Molecular FormulaC24H24F4
Molecular Weight388.45 g/mol
Exact Mass388.18
IUPAC Name6-[4-(4-ethylcyclohexyl)phenyl]-1,1,2,2-tetrafluoronaphthalene
SMILESCCC1CCC(c2ccc(-c3ccc4c(c3)C=CC(F)(F)C4(F)F)cc2)CC1
InChIInChI=1S/C24H24F4/c1-2-16-3-5-17(6-4-16)18-7-9-19(10-8-18)20-11-12-22-21(15-20)13-14-23(25,26)24(22,27)28/h7-17H,2-6H2,1H3
InChIKeyHQNOWEQAVMOJGO-UHFFFAOYSA-N
XLogP7.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.45
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,2-tetrafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
CID 139850129
3,3,4,4-tetrafluoro-7-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139850222
1-bromo-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 170842748
1-ethenyl-4-[4-(4-ethylcyclohexyl)phenyl]benzene;propane
CID 145009719
2-ethenyl-6-[4-(4-ethylcyclohexyl)phenyl]naphthalene
CID 139862037
1-(4-ethylcyclohexyl)-4-(4-propylcyclohexyl)benzene
CID 20538372
1-(2,2-difluoropropyl)-4-[4-(4-ethylcyclohexyl)phenyl]benzene
CID 23188567
5,5,6,6-tetrafluoro-1-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]cyclohexa-1,3-diene
CID 121476355
1,1,2,2,8-pentafluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
CID 139850159
7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]-1H-naphthalene-2,2-diol
CID 126752022
1-[4-(4-ethylcyclohexyl)phenyl]-2,4-difluorobenzene
CID 67806520
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-ethylcyclohexyl)phenyl]-1,1,2,2-tetrafluoronaphthalene?
The IUPAC name of 6-[4-(4-ethylcyclohexyl)phenyl]-1,1,2,2-tetrafluoronaphthalene (CID 139850270) is 6-[4-(4-ethylcyclohexyl)phenyl]-1,1,2,2-tetrafluoronaphthalene.
What is the SMILES notation for 6-[4-(4-ethylcyclohexyl)phenyl]-1,1,2,2-tetrafluoronaphthalene?
The canonical SMILES for 6-[4-(4-ethylcyclohexyl)phenyl]-1,1,2,2-tetrafluoronaphthalene is CCC1CCC(c2ccc(-c3ccc4c(c3)C=CC(F)(F)C4(F)F)cc2)CC1.
What is the InChIKey of 6-[4-(4-ethylcyclohexyl)phenyl]-1,1,2,2-tetrafluoronaphthalene?
The InChIKey is HQNOWEQAVMOJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F4/c1-2-16-3-5-17(6-4-16)18-7-9-19(10-8-18)20-11-12-22-21(15-20)13-14-23(25,26)24(22,27)28/h7-17H,2-6H2,1H3.
What are the key properties of 6-[4-(4-ethylcyclohexyl)phenyl]-1,1,2,2-tetrafluoronaphthalene?
6-[4-(4-ethylcyclohexyl)phenyl]-1,1,2,2-tetrafluoronaphthalene has a molecular weight of 388.45 g/mol, XLogP of 7.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-ethylcyclohexyl)phenyl]-1,1,2,2-tetrafluoronaphthalene is sourced from PubChem (CID 139850270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).