1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene

C28H32F2 — CID 139846714

IUPAC1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene
SMILESCCCCCCc1ccc(C2CCC(c3ccc4c(F)c(F)ccc4c3)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)24-15-17-26-25(19-24)16-18-27(29)28(26)30/h7-10,15-19,22-23H,2-6,11-14H2,1H3
InChIKeyPLPKLQSDVVINDV-UHFFFAOYSA-N
MW406.56 g/mol
LogP8.68
Rot. Bonds7

About 1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene

1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene (PubChem CID 139846714) has the molecular formula C28H32F2 and a molecular weight of 406.56 g/mol. Its IUPAC name is 1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene.

Molecular Properties

Compound Name1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene
PubChem CID139846714
Molecular FormulaC28H32F2
Molecular Weight406.56 g/mol
Exact Mass406.25
IUPAC Name1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene
SMILESCCCCCCc1ccc(C2CCC(c3ccc4c(F)c(F)ccc4c3)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)24-15-17-26-25(19-24)16-18-27(29)28(26)30/h7-10,15-19,22-23H,2-6,11-14H2,1H3
InChIKeyPLPKLQSDVVINDV-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-(4-hexylphenyl)cyclohexyl]naphthalene
CID 139846844
1,2-difluoro-6-[4-[2-(2-fluoro-4-pentylphenyl)ethynyl]cyclohexyl]naphthalene
CID 139846938
1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene
CID 139850164
1,2-difluoro-6-(4-hexylphenyl)naphthalene
CID 139846673
6-[(6R,8aR)-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoronaphthalene
CID 20808175
2-[2-(4-butylphenyl)ethynyl]-1-fluoro-6-(4-hexylcyclohexyl)naphthalene
CID 139877114
1-(4-fluorocyclohexyl)-4-heptylbenzene
CID 22123877
1-fluoro-2-pentyl-6-[2-[4-[4-[(E)-prop-1-enyl]cyclohexyl]phenyl]ethyl]naphthalene
CID 139863811
2-(4-methylcyclohexyl)-6-pentylnaphthalene
CID 20500456
2,3-difluoro-6-[4-[2-(4-heptylphenyl)ethynyl]cyclohexyl]naphthalene
CID 139847149
1,2-difluoro-6-(2-fluoro-4-heptylphenyl)naphthalene
CID 139847108
1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol
CID 139850039

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene?
The IUPAC name of 1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene (CID 139846714) is 1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene.
What is the SMILES notation for 1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene?
The canonical SMILES for 1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene is CCCCCCc1ccc(C2CCC(c3ccc4c(F)c(F)ccc4c3)CC2)cc1.
What is the InChIKey of 1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene?
The InChIKey is PLPKLQSDVVINDV-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)24-15-17-26-25(19-24)16-18-27(29)28(26)30/h7-10,15-19,22-23H,2-6,11-14H2,1H3.
What are the key properties of 1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene?
1,2-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 1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene is sourced from PubChem (CID 139846714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).