2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene

C25H24F6O — CID 139967190

IUPAC2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene
SMILESCCCC1CCC(c2cc(F)c(C3=Cc4cc(F)c(OC(F)(F)F)cc4C3)c(F)c2)CC1
InChIInChI=1S/C25H24F6O/c1-2-3-14-4-6-15(7-5-14)18-11-21(27)24(22(28)12-18)19-8-16-10-20(26)23(13-17(16)9-19)32-25(29,30)31/h8,10-15H,2-7,9H2,1H3
InChIKeyCKQYQKJHYKXJSP-UHFFFAOYSA-N
MW454.45 g/mol
LogP8.17
Rot. Bonds5

About 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene

2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene (PubChem CID 139967190) has the molecular formula C25H24F6O and a molecular weight of 454.45 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene.

Molecular Properties

Compound Name2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene
PubChem CID139967190
Molecular FormulaC25H24F6O
Molecular Weight454.45 g/mol
Exact Mass454.17
IUPAC Name2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene
SMILESCCCC1CCC(c2cc(F)c(C3=Cc4cc(F)c(OC(F)(F)F)cc4C3)c(F)c2)CC1
InChIInChI=1S/C25H24F6O/c1-2-3-14-4-6-15(7-5-14)18-11-21(27)24(22(28)12-18)19-8-16-10-20(26)23(13-17(16)9-19)32-25(29,30)31/h8,10-15H,2-7,9H2,1H3
InChIKeyCKQYQKJHYKXJSP-UHFFFAOYSA-N
XLogP8.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.45
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139961611
2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene
CID 139967145
2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene
CID 139967142
2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene
CID 139967120
6-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-3-fluoro-7,8-dihydronaphthalene-2-carbonitrile
CID 139961405
2-fluoro-4-(3-propylcyclopentyl)-1-(trifluoromethoxy)benzene
CID 58555462
1,3-difluoro-2-[3-fluoro-4-(trifluoromethoxy)phenyl]-5-[4-[2-(4-propylcyclohexyl)propyl]cyclohexyl]benzene
CID 139710938
2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethoxy)phenyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22384679
7-fluoro-2-[2-(4-propylcyclohexyl)ethyl]-6-(trifluoromethoxy)-1,2,3,4-tetrahydronaphthalene
CID 139849759
3-[2-(4-butylcyclohexyl)ethyl]-6-fluoro-7-(trifluoromethoxy)-1,2-dihydronaphthalene
CID 139961406
2-[2,6-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene
CID 139967156
2-[[3,5-difluoro-4-(trifluoromethoxy)phenyl]methyl]-1,3-difluoro-5-(4-propylcyclohexyl)benzene
CID 139748673

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene?
The IUPAC name of 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene (CID 139967190) is 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene.
What is the SMILES notation for 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene?
The canonical SMILES for 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene is CCCC1CCC(c2cc(F)c(C3=Cc4cc(F)c(OC(F)(F)F)cc4C3)c(F)c2)CC1.
What is the InChIKey of 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene?
The InChIKey is CKQYQKJHYKXJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F6O/c1-2-3-14-4-6-15(7-5-14)18-11-21(27)24(22(28)12-18)19-8-16-10-20(26)23(13-17(16)9-19)32-25(29,30)31/h8,10-15H,2-7,9H2,1H3.
What are the key properties of 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene?
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene has a molecular weight of 454.45 g/mol, XLogP of 8.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene is sourced from PubChem (CID 139967190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).