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

C30H36F4 — CID 139967145

IUPAC2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene
SMILESCCCCCCCCCC1CCC(c2cc(F)c(C3=Cc4cc(F)c(F)cc4C3)c(F)c2)CC1
InChIInChI=1S/C30H36F4/c1-2-3-4-5-6-7-8-9-20-10-12-21(13-11-20)24-18-28(33)30(29(34)19-24)25-14-22-16-26(31)27(32)17-23(22)15-25/h14,16-21H,2-13,15H2,1H3
InChIKeyBJMKOQPSVQRMRT-UHFFFAOYSA-N
MW472.61 g/mol
LogP9.75
Rot. Bonds10

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

2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene (PubChem CID 139967145) has the molecular formula C30H36F4 and a molecular weight of 472.61 g/mol. Its IUPAC name is 2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene.

Molecular Properties

Compound Name2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene
PubChem CID139967145
Molecular FormulaC30H36F4
Molecular Weight472.61 g/mol
Exact Mass472.28
IUPAC Name2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene
SMILESCCCCCCCCCC1CCC(c2cc(F)c(C3=Cc4cc(F)c(F)cc4C3)c(F)c2)CC1
InChIInChI=1S/C30H36F4/c1-2-3-4-5-6-7-8-9-20-10-12-21(13-11-20)24-18-28(33)30(29(34)19-24)25-14-22-16-26(31)27(32)17-23(22)15-25/h14,16-21H,2-13,15H2,1H3
InChIKeyBJMKOQPSVQRMRT-UHFFFAOYSA-N
XLogP9.75
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.61
LogP ≤ 59.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-pentylcyclohexyl)phenyl]-6,7-difluoro-1,4-dihydronaphthalene
CID 139961510
2-[2,6-difluoro-4-[4-[(E)-pent-3-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene
CID 139967142
2-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-5-fluoro-6-(trifluoromethoxy)-1H-indene
CID 139967190
2-[2,6-difluoro-4-[2-(4-propylcyclohexyl)ethyl]phenyl]-5,6-difluoro-1H-indene
CID 139967120
2-[2,6-difluoro-4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]-5,6-difluoro-1H-indene
CID 139967156
1,2,3-trifluoro-5-[4-[3-(4-pentylcyclohexyl)propyl]cyclohexyl]benzene
CID 139725203
6,7-difluoro-2-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]-1,4-dihydronaphthalene
CID 139961787
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
6-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-3-fluoro-7,8-dihydronaphthalene-2-carbonitrile
CID 139961405
2-[4-(4-butylcyclohexyl)-2,6-difluorophenyl]-7-fluoro-6-(trifluoromethoxy)-1,4-dihydronaphthalene
CID 139961611
2-fluoro-1-iodo-4-(4-pentylcyclohexyl)benzene
CID 59592418

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene?
The IUPAC name of 2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene (CID 139967145) is 2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene.
What is the SMILES notation for 2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene?
The canonical SMILES for 2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene is CCCCCCCCCC1CCC(c2cc(F)c(C3=Cc4cc(F)c(F)cc4C3)c(F)c2)CC1.
What is the InChIKey of 2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene?
The InChIKey is BJMKOQPSVQRMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36F4/c1-2-3-4-5-6-7-8-9-20-10-12-21(13-11-20)24-18-28(33)30(29(34)19-24)25-14-22-16-26(31)27(32)17-23(22)15-25/h14,16-21H,2-13,15H2,1H3.
What are the key properties of 2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene?
2-[2,6-difluoro-4-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene has a molecular weight of 472.61 g/mol, XLogP of 9.75, 10 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-(4-nonylcyclohexyl)phenyl]-5,6-difluoro-1H-indene is sourced from PubChem (CID 139967145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).