2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene

C28H28F6O — CID 139855726

IUPAC2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene
SMILESCCCCCC1CCC(c2cc(F)c(-c3ccc4c(F)c(OC(F)F)c(F)cc4c3)c(F)c2)CC1
InChIInChI=1S/C28H28F6O/c1-2-3-4-5-16-6-8-17(9-7-16)19-13-22(29)25(23(30)14-19)18-10-11-21-20(12-18)15-24(31)27(26(21)32)35-28(33)34/h10-17,28H,2-9H2,1H3
InChIKeyYVFBNTMGOVLJFJ-UHFFFAOYSA-N
MW494.52 g/mol
LogP9.52
Rot. Bonds8

About 2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene

2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene (PubChem CID 139855726) has the molecular formula C28H28F6O and a molecular weight of 494.52 g/mol. Its IUPAC name is 2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene.

Molecular Properties

Compound Name2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene
PubChem CID139855726
Molecular FormulaC28H28F6O
Molecular Weight494.52 g/mol
Exact Mass494.20
IUPAC Name2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene
SMILESCCCCCC1CCC(c2cc(F)c(-c3ccc4c(F)c(OC(F)F)c(F)cc4c3)c(F)c2)CC1
InChIInChI=1S/C28H28F6O/c1-2-3-4-5-16-6-8-17(9-7-16)19-13-22(29)25(23(30)14-19)18-10-11-21-20(12-18)15-24(31)27(26(21)32)35-28(33)34/h10-17,28H,2-9H2,1H3
InChIKeyYVFBNTMGOVLJFJ-UHFFFAOYSA-N
XLogP9.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.52
LogP ≤ 59.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoro-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855660
6-[2,6-difluoro-4-(4-heptylcyclohexyl)phenyl]-1,3-difluoro-2-(trifluoromethyl)naphthalene
CID 139856611
2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene
CID 58840172
2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
CID 58839716
6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-8-fluoronaphthalen-2-ol
CID 139849922
6-[4-(4-butylcyclohexyl)-2-fluorophenyl]-1,2,3-trifluoronaphthalene;1,2,3-trifluoro-6-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]naphthalene
CID 160628288
2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethynyl]-1-fluoro-6-(4-hexylcyclohexyl)naphthalene
CID 139851594
3-[4-(difluoromethoxy)-3,5-difluorophenyl]-9-pentyl-6-silaspiro[5.5]undecane
CID 139675571
2-[4-(difluoromethoxy)-3,5-difluorophenyl]-6-(4-heptylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 139837246
1,3-difluoro-6-(4-heptylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139856451
6-[2,6-difluoro-4-(4-hexylcyclohexyl)phenyl]-1,8-difluoronaphthalen-2-ol
CID 139849979
2-[4-[4-(difluoromethoxy)-3-fluorophenyl]-3,5-difluorophenyl]-6-heptyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22385149

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene?
The IUPAC name of 2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene (CID 139855726) is 2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene.
What is the SMILES notation for 2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene?
The canonical SMILES for 2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene is CCCCCC1CCC(c2cc(F)c(-c3ccc4c(F)c(OC(F)F)c(F)cc4c3)c(F)c2)CC1.
What is the InChIKey of 2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene?
The InChIKey is YVFBNTMGOVLJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F6O/c1-2-3-4-5-16-6-8-17(9-7-16)19-13-22(29)25(23(30)14-19)18-10-11-21-20(12-18)15-24(31)27(26(21)32)35-28(33)34/h10-17,28H,2-9H2,1H3.
What are the key properties of 2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene?
2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene has a molecular weight of 494.52 g/mol, XLogP of 9.52, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene is sourced from PubChem (CID 139855726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).