2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene

C28H32F2 — CID 139846844

IUPAC2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene
SMILESCCCCCCc1ccc(C2CCC(c3ccc4cc(F)c(F)cc4c3)CC2)cc1
InChIInChI=1S/C28H32F2/c1-2-3-4-5-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)24-15-16-25-18-27(29)28(30)19-26(25)17-24/h7-10,15-19,22-23H,2-6,11-14H2,1H3
InChIKeyRNRBRJGKHRZHDA-UHFFFAOYSA-N
MW406.56 g/mol
LogP8.68
Rot. Bonds7

About 2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene

2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene (PubChem CID 139846844) has the molecular formula C28H32F2 and a molecular weight of 406.56 g/mol. Its IUPAC name is 2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene.

Molecular Properties

Compound Name2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene
PubChem CID139846844
Molecular FormulaC28H32F2
Molecular Weight406.56 g/mol
Exact Mass406.25
IUPAC Name2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene
SMILESCCCCCCc1ccc(C2CCC(c3ccc4cc(F)c(F)cc4c3)CC2)cc1
InChIInChI=1S/C28H32F2/c1-2-3-4-5-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)24-15-16-25-18-27(29)28(30)19-26(25)17-24/h7-10,15-19,22-23H,2-6,11-14H2,1H3
InChIKeyRNRBRJGKHRZHDA-UHFFFAOYSA-N
XLogP8.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.56
LogP ≤ 58.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-6-[4-[2-(4-heptylphenyl)ethynyl]cyclohexyl]naphthalene
CID 139847149
1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene
CID 139846714
2-(4-methylcyclohexyl)-6-pentylnaphthalene
CID 20500456
6-[4-[2-(2,6-difluoro-4-pentylphenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene
CID 139847060
1-(4-fluorocyclohexyl)-4-heptylbenzene
CID 22123877
6-[4-[2-(4-butyl-2-fluorophenyl)ethynyl]cyclohexyl]-2,3-difluoronaphthalene
CID 139846656
1-(4-ethylcyclohexyl)-4-nonylbenzene
CID 20683410
1-nonyl-4-(4-propylcyclohexyl)benzene
CID 20683431
2,3-difluoro-6-(6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22384822
1-(4-ethylcyclohexyl)-4-pentylbenzene
CID 20683439
1-(4-fluorocyclohexyl)-4-(4-pentylphenyl)benzene
CID 22123952
1-[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl]-4-pentylbenzene
CID 59931186

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene?
The IUPAC name of 2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene (CID 139846844) is 2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene.
What is the SMILES notation for 2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene?
The canonical SMILES for 2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene is CCCCCCc1ccc(C2CCC(c3ccc4cc(F)c(F)cc4c3)CC2)cc1.
What is the InChIKey of 2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene?
The InChIKey is RNRBRJGKHRZHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32F2/c1-2-3-4-5-6-20-7-9-21(10-8-20)22-11-13-23(14-12-22)24-15-16-25-18-27(29)28(30)19-26(25)17-24/h7-10,15-19,22-23H,2-6,11-14H2,1H3.
What are the key properties of 2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene?
2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene has a molecular weight of 406.56 g/mol, XLogP of 8.68, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene is sourced from PubChem (CID 139846844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).