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

C28H38F2 — CID 139850164

IUPAC1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene
SMILESCCCCCCC1CCC(C2CCC(c3ccc4c(F)c(F)ccc4c3)CC2)CC1
InChIInChI=1S/C28H38F2/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/h15-23H,2-14H2,1H3
InChIKeyZGCUJSBJKIHBLF-UHFFFAOYSA-N
MW412.61 g/mol
LogP9.17
Rot. Bonds7

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

1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene (PubChem CID 139850164) has the molecular formula C28H38F2 and a molecular weight of 412.61 g/mol. Its IUPAC name is 1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene.

Molecular Properties

Compound Name1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene
PubChem CID139850164
Molecular FormulaC28H38F2
Molecular Weight412.61 g/mol
Exact Mass412.29
IUPAC Name1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene
SMILESCCCCCCC1CCC(C2CCC(c3ccc4c(F)c(F)ccc4c3)CC2)CC1
InChIInChI=1S/C28H38F2/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/h15-23H,2-14H2,1H3
InChIKeyZGCUJSBJKIHBLF-UHFFFAOYSA-N
XLogP9.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.61
LogP ≤ 59.17
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

6-[(6R,8aR)-6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-1,2-difluoronaphthalene
CID 20808175
1-fluoro-6-(4-hexylcyclohexyl)naphthalen-2-ol
CID 139850039
1,2-difluoro-7-(6-hexyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 142649722
1-fluoro-6-(4-pentylcyclohexyl)-2-(trifluoromethyl)naphthalene
CID 139856218
1,2-difluoro-6-[4-(4-hexylphenyl)cyclohexyl]naphthalene
CID 139846714
1-fluoro-2-(trifluoromethyl)-4-[4-(4-undecylcyclohexyl)cyclohexyl]benzene
CID 139763396
1-fluoro-4-[4-(4-heptylcyclohexyl)cyclohexyl]-2-(trifluoromethyl)benzene
CID 139763400
6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene
CID 58840081
1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol
CID 139849901
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
1-fluoro-6-(4-pentylcyclohexyl)-2-prop-2-enoxynaphthalene
CID 139861263

Frequently Asked Questions

What is the IUPAC name of 1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene?
The IUPAC name of 1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene (CID 139850164) is 1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene.
What is the SMILES notation for 1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene?
The canonical SMILES for 1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene is CCCCCCC1CCC(C2CCC(c3ccc4c(F)c(F)ccc4c3)CC2)CC1.
What is the InChIKey of 1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene?
The InChIKey is ZGCUJSBJKIHBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F2/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/h15-23H,2-14H2,1H3.
What are the key properties of 1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene?
1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene has a molecular weight of 412.61 g/mol, XLogP of 9.17, 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-hexylcyclohexyl)cyclohexyl]naphthalene is sourced from PubChem (CID 139850164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).