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

C26H28F4 — CID 139967120

IUPAC2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene
SMILESCCCC1CCC(CCc2cc(F)c(C3=Cc4cc(F)c(F)cc4C3)c(F)c2)CC1
InChIInChI=1S/C26H28F4/c1-2-3-16-4-6-17(7-5-16)8-9-18-10-24(29)26(25(30)11-18)21-12-19-14-22(27)23(28)15-20(19)13-21/h10-12,14-17H,2-9,13H2,1H3
InChIKeyLTGJOZSWJZUPSG-UHFFFAOYSA-N
MW416.50 g/mol
LogP7.88
Rot. Bonds6

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

2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene (PubChem CID 139967120) has the molecular formula C26H28F4 and a molecular weight of 416.50 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene.

Molecular Properties

Compound Name2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene
PubChem CID139967120
Molecular FormulaC26H28F4
Molecular Weight416.50 g/mol
Exact Mass416.21
IUPAC Name2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene
SMILESCCCC1CCC(CCc2cc(F)c(C3=Cc4cc(F)c(F)cc4C3)c(F)c2)CC1
InChIInChI=1S/C26H28F4/c1-2-3-16-4-6-17(7-5-16)8-9-18-10-24(29)26(25(30)11-18)21-12-19-14-22(27)23(28)15-20(19)13-21/h10-12,14-17H,2-9,13H2,1H3
InChIKeyLTGJOZSWJZUPSG-UHFFFAOYSA-N
XLogP7.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.50
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-[2,6-difluoro-4-[2-(4-pentylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene
CID 139967211
2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene
CID 139967145
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene
CID 139967190
5,6-difluoro-2-[4-(4-propylcyclohexyl)cyclohexyl]-1H-indene
CID 139945530
2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene
CID 139967142
3-(4-butyl-2,6-difluorophenyl)-6,7-difluoro-1,2-dihydronaphthalene
CID 139961103
2-[2,6-difluoro-4-[(4-propylphenyl)methoxy]phenyl]-5,6-difluoro-1H-indene
CID 139967121
1,3-difluoro-2-(3-fluorophenyl)-5-[2-(4-propylcyclohexyl)ethyl]benzene
CID 139711046
1,2,3-trifluoro-5-[2-[4-(3-propylcyclopentyl)cyclohexyl]ethyl]benzene
CID 58555509
2-[2,6-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene
CID 139967156
1,3-difluoro-2-[4-[2-[4-(methoxymethyl)cyclohexyl]ethyl]phenyl]-5-[2-(4-propylcyclohexyl)ethyl]benzene
CID 23297290
6-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-3-fluoro-7,8-dihydronaphthalene-2-carbonitrile
CID 139961405

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene?
The IUPAC name of 2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene (CID 139967120) is 2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene.
What is the SMILES notation for 2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene?
The canonical SMILES for 2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene is CCCC1CCC(CCc2cc(F)c(C3=Cc4cc(F)c(F)cc4C3)c(F)c2)CC1.
What is the InChIKey of 2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene?
The InChIKey is LTGJOZSWJZUPSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F4/c1-2-3-16-4-6-17(7-5-16)8-9-18-10-24(29)26(25(30)11-18)21-12-19-14-22(27)23(28)15-20(19)13-21/h10-12,14-17H,2-9,13H2,1H3.
What are the key properties of 2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene?
2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene has a molecular weight of 416.50 g/mol, XLogP of 7.88, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene is sourced from PubChem (CID 139967120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).