2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene

C26H32F4O — CID 58839716

IUPAC2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
SMILESCCCC1CCC(C2CCC(c3ccc4c(F)c(OC(F)F)c(F)cc4c3)CC2)CC1
InChIInChI=1S/C26H32F4O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-13-22-21(14-20)15-23(27)25(24(22)28)31-26(29)30/h12-19,26H,2-11H2,1H3
InChIKeyOVPOMIZBZNCPFJ-UHFFFAOYSA-N
MW436.53 g/mol
LogP8.60
Rot. Bonds6

About 2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene

2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene (PubChem CID 58839716) has the molecular formula C26H32F4O and a molecular weight of 436.53 g/mol. Its IUPAC name is 2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene.

Molecular Properties

Compound Name2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
PubChem CID58839716
Molecular FormulaC26H32F4O
Molecular Weight436.53 g/mol
Exact Mass436.24
IUPAC Name2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene
SMILESCCCC1CCC(C2CCC(c3ccc4c(F)c(OC(F)F)c(F)cc4c3)CC2)CC1
InChIInChI=1S/C26H32F4O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-13-22-21(14-20)15-23(27)25(24(22)28)31-26(29)30/h12-19,26H,2-11H2,1H3
InChIKeyOVPOMIZBZNCPFJ-UHFFFAOYSA-N
XLogP8.60
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.53
LogP ≤ 58.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(difluoromethoxy)-1,3-difluoro-6-(4-propylcyclohexyl)naphthalene
CID 58840172
6-[(6R,8aR)-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-2-(difluoromethoxy)-1,3-difluoronaphthalene
CID 20808220
1,3-difluoro-6-(4-propylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139855248
2-(difluoromethoxy)-6-[2,6-difluoro-4-(4-pentylcyclohexyl)phenyl]-1,3-difluoronaphthalene
CID 139855726
1-fluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalen-2-ol
CID 139849901
6-(4-butylcyclohexyl)-1,2,3-trifluoronaphthalene
CID 58840081
1-(difluoromethoxy)-2-ethenyl-6-(4-propylcyclohexyl)naphthalene
CID 139862287
7-(difluoromethoxy)-1,6-difluoro-3-(6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)naphthalene
CID 22384430
1,3-difluoro-6-(4-heptylcyclohexyl)-2-(2,2,2-trifluoroethoxy)naphthalene
CID 139856451
6-(6-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-1,3-difluoro-2-(trifluoromethoxy)naphthalene
CID 22383597
2-[2-[4-(difluoromethoxy)-3,5-difluorophenyl]ethynyl]-1-fluoro-6-(4-hexylcyclohexyl)naphthalene
CID 139851594
1,2-difluoro-6-[4-(4-hexylcyclohexyl)cyclohexyl]naphthalene
CID 139850164

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene?
The IUPAC name of 2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene (CID 58839716) is 2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene.
What is the SMILES notation for 2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene?
The canonical SMILES for 2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene is CCCC1CCC(C2CCC(c3ccc4c(F)c(OC(F)F)c(F)cc4c3)CC2)CC1.
What is the InChIKey of 2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene?
The InChIKey is OVPOMIZBZNCPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F4O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-13-22-21(14-20)15-23(27)25(24(22)28)31-26(29)30/h12-19,26H,2-11H2,1H3.
What are the key properties of 2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene?
2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene has a molecular weight of 436.53 g/mol, XLogP of 8.60, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-1,3-difluoro-6-[4-(4-propylcyclohexyl)cyclohexyl]naphthalene is sourced from PubChem (CID 58839716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).