2-(4-ethenylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene

C25H26F4O — CID 139853275

IUPAC2-(4-ethenylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESC=CC1CCC(C2CCc3cc(-c4ccc(OC(F)(F)F)cc4)c(F)cc3C2)CC1
InChIInChI=1S/C25H26F4O/c1-2-16-3-5-17(6-4-16)19-7-8-20-14-23(24(26)15-21(20)13-19)18-9-11-22(12-10-18)30-25(27,28)29/h2,9-12,14-17,19H,1,3-8,13H2
InChIKeyYQKYYNRZMVBWJP-UHFFFAOYSA-N
MW418.47 g/mol
LogP7.49
Rot. Bonds4

About 2-(4-ethenylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene

2-(4-ethenylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene (PubChem CID 139853275) has the molecular formula C25H26F4O and a molecular weight of 418.47 g/mol. Its IUPAC name is 2-(4-ethenylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(4-ethenylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
PubChem CID139853275
Molecular FormulaC25H26F4O
Molecular Weight418.47 g/mol
Exact Mass418.19
IUPAC Name2-(4-ethenylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
SMILESC=CC1CCC(C2CCc3cc(-c4ccc(OC(F)(F)F)cc4)c(F)cc3C2)CC1
InChIInChI=1S/C25H26F4O/c1-2-16-3-5-17(6-4-16)19-7-8-20-14-23(24(26)15-21(20)13-19)18-9-11-22(12-10-18)30-25(27,28)29/h2,9-12,14-17,19H,1,3-8,13H2
InChIKeyYQKYYNRZMVBWJP-UHFFFAOYSA-N
XLogP7.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.47
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-butylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852159
5-fluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene
CID 139852688
4-(4-ethenylcyclohexyl)-2-fluoro-1-[4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]cyclohexen-1-yl]benzene
CID 88993385
7-fluoro-6-(4-fluorophenyl)-2-[4-[(E)-pent-3-enyl]cyclohexyl]-1,2,3,4-tetrahydronaphthalene
CID 139852837
7-fluoro-2-(4-pentylcyclohexyl)-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139852083
2-(4-ethenylcyclohexyl)-6-[2-(4-fluorophenyl)ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139852115
7-fluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 58839845
5-fluoro-2-[4-[(E)-prop-1-enyl]cyclohexyl]-6-[2-[4-(trifluoromethoxy)phenyl]ethynyl]-1,2,3,4-tetrahydronaphthalene
CID 139853585
4-[4-(4-ethenylcyclohexyl)cyclohexyl]-2-fluoro-1-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]cyclohexen-1-yl]benzene
CID 88993420
7-ethyl-3-fluoro-2-[4-(trifluoromethoxy)phenyl]-9H-fluorene
CID 139884381
1-[4-[(4-ethenylcyclohexyl)-difluoromethoxy]-2-fluorophenyl]-2,3-difluoro-4-(3,4,5-trifluorophenyl)benzene
CID 118601271
methane;molecular hydrogen;1-[4-[4-[(E)-prop-1-enyl]cyclohexyl]cyclohexen-1-yl]-4-(trifluoromethoxy)benzene
CID 159981765

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethenylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(4-ethenylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene (CID 139853275) is 2-(4-ethenylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(4-ethenylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(4-ethenylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene is C=CC1CCC(C2CCc3cc(-c4ccc(OC(F)(F)F)cc4)c(F)cc3C2)CC1.
What is the InChIKey of 2-(4-ethenylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene?
The InChIKey is YQKYYNRZMVBWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F4O/c1-2-16-3-5-17(6-4-16)19-7-8-20-14-23(24(26)15-21(20)13-19)18-9-11-22(12-10-18)30-25(27,28)29/h2,9-12,14-17,19H,1,3-8,13H2.
What are the key properties of 2-(4-ethenylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene?
2-(4-ethenylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene has a molecular weight of 418.47 g/mol, XLogP of 7.49, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethenylcyclohexyl)-7-fluoro-6-[4-(trifluoromethoxy)phenyl]-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 139853275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).