3,3,4,4-tetrafluoro-7-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene

C25H28F4 — CID 139850222

IUPAC3,3,4,4-tetrafluoro-7-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
SMILESCCCC1CCC(c2ccc(-c3ccc4c(c3)CCC(F)(F)C4(F)F)cc2)CC1
InChIInChI=1S/C25H28F4/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-23-22(16-21)14-15-24(26,27)25(23,28)29/h8-13,16-18H,2-7,14-15H2,1H3
InChIKeyCKHVZGNHPCAEJO-UHFFFAOYSA-N
MW404.49 g/mol
LogP8.10
Rot. Bonds4

About 3,3,4,4-tetrafluoro-7-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene

3,3,4,4-tetrafluoro-7-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene (PubChem CID 139850222) has the molecular formula C25H28F4 and a molecular weight of 404.49 g/mol. Its IUPAC name is 3,3,4,4-tetrafluoro-7-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene.

Molecular Properties

Compound Name3,3,4,4-tetrafluoro-7-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
PubChem CID139850222
Molecular FormulaC25H28F4
Molecular Weight404.49 g/mol
Exact Mass404.21
IUPAC Name3,3,4,4-tetrafluoro-7-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene
SMILESCCCC1CCC(c2ccc(-c3ccc4c(c3)CCC(F)(F)C4(F)F)cc2)CC1
InChIInChI=1S/C25H28F4/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-23-22(16-21)14-15-24(26,27)25(23,28)29/h8-13,16-18H,2-7,14-15H2,1H3
InChIKeyCKHVZGNHPCAEJO-UHFFFAOYSA-N
XLogP8.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.49
LogP ≤ 58.10
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

3,3,4,4,5-pentafluoro-7-[4-(4-pentylcyclohexyl)phenyl]-1,2-dihydronaphthalene
CID 139850255
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
6-[4-(4-but-3-enylcyclohexyl)phenyl]-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 139853300
1-chloro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118912523
7-[4-(4-propylcyclohexyl)phenyl]-1-[7-[4-(4-propylcyclohexyl)phenyl]naphthalen-1-yl]naphthalene
CID 162014078
2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenol;octane
CID 144684748
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenol;octane;propane
CID 145122108
6-[4-(4-ethylcyclohexyl)phenyl]-1,1,2,2-tetrafluoronaphthalene
CID 139850270
4-[4-(4-propylcyclohexyl)phenyl]benzene-1,2-dicarbonitrile
CID 22590745
2-fluoro-4-[4-[4-(fluoromethyl)cyclohexyl]phenyl]-1-(4-propylcyclohexyl)benzene
CID 21265243

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4-tetrafluoro-7-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene?
The IUPAC name of 3,3,4,4-tetrafluoro-7-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene (CID 139850222) is 3,3,4,4-tetrafluoro-7-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene.
What is the SMILES notation for 3,3,4,4-tetrafluoro-7-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene?
The canonical SMILES for 3,3,4,4-tetrafluoro-7-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene is CCCC1CCC(c2ccc(-c3ccc4c(c3)CCC(F)(F)C4(F)F)cc2)CC1.
What is the InChIKey of 3,3,4,4-tetrafluoro-7-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene?
The InChIKey is CKHVZGNHPCAEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F4/c1-2-3-17-4-6-18(7-5-17)19-8-10-20(11-9-19)21-12-13-23-22(16-21)14-15-24(26,27)25(23,28)29/h8-13,16-18H,2-7,14-15H2,1H3.
What are the key properties of 3,3,4,4-tetrafluoro-7-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene?
3,3,4,4-tetrafluoro-7-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene has a molecular weight of 404.49 g/mol, XLogP of 8.10, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4-tetrafluoro-7-[4-(4-propylcyclohexyl)phenyl]-1,2-dihydronaphthalene is sourced from PubChem (CID 139850222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).