2-[4-[[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]cyclohexyl]oxymethyl]cyclohexyl]-6-methylnaphthalene

C32H33F7O2 — CID 90179960

IUPAC2-[4-[[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]cyclohexyl]oxymethyl]cyclohexyl]-6-methylnaphthalene
SMILESCc1ccc2cc(C3CCC(COC4CCC(c5cc(F)c(C(F)(F)OC(F)(F)F)c(F)c5)CC4)CC3)ccc2c1
InChIInChI=1S/C32H33F7O2/c1-19-2-5-25-15-24(9-8-23(25)14-19)21-6-3-20(4-7-21)18-40-27-12-10-22(11-13-27)26-16-28(33)30(29(34)17-26)31(35,36)41-32(37,38)39/h2,5,8-9,14-17,20-22,27H,3-4,6-7,10-13,18H2,1H3
InChIKeyHHENTDNJDFGTSV-UHFFFAOYSA-N
MW582.60 g/mol
LogP10.03
Rot. Bonds7

About 2-[4-[[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]cyclohexyl]oxymethyl]cyclohexyl]-6-methylnaphthalene

2-[4-[[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]cyclohexyl]oxymethyl]cyclohexyl]-6-methylnaphthalene (PubChem CID 90179960) has the molecular formula C32H33F7O2 and a molecular weight of 582.60 g/mol. Its IUPAC name is 2-[4-[[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]cyclohexyl]oxymethyl]cyclohexyl]-6-methylnaphthalene.

Molecular Properties

Compound Name2-[4-[[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]cyclohexyl]oxymethyl]cyclohexyl]-6-methylnaphthalene
PubChem CID90179960
Molecular FormulaC32H33F7O2
Molecular Weight582.60 g/mol
Exact Mass582.24
IUPAC Name2-[4-[[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]cyclohexyl]oxymethyl]cyclohexyl]-6-methylnaphthalene
SMILESCc1ccc2cc(C3CCC(COC4CCC(c5cc(F)c(C(F)(F)OC(F)(F)F)c(F)c5)CC4)CC3)ccc2c1
InChIInChI=1S/C32H33F7O2/c1-19-2-5-25-15-24(9-8-23(25)14-19)21-6-3-20(4-7-21)18-40-27-12-10-22(11-13-27)26-16-28(33)30(29(34)17-26)31(35,36)41-32(37,38)39/h2,5,8-9,14-17,20-22,27H,3-4,6-7,10-13,18H2,1H3
InChIKeyHHENTDNJDFGTSV-UHFFFAOYSA-N
XLogP10.03
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.60
LogP ≤ 510.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[4-[[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]cyclohexyl]oxymethyl]cyclohexyl]-6-methylnaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]cyclohexyl]oxymethyl]cyclohexyl]-6-methylnaphthalene?
The IUPAC name of 2-[4-[[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]cyclohexyl]oxymethyl]cyclohexyl]-6-methylnaphthalene (CID 90179960) is 2-[4-[[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]cyclohexyl]oxymethyl]cyclohexyl]-6-methylnaphthalene.
What is the SMILES notation for 2-[4-[[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]cyclohexyl]oxymethyl]cyclohexyl]-6-methylnaphthalene?
The canonical SMILES for 2-[4-[[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]cyclohexyl]oxymethyl]cyclohexyl]-6-methylnaphthalene is Cc1ccc2cc(C3CCC(COC4CCC(c5cc(F)c(C(F)(F)OC(F)(F)F)c(F)c5)CC4)CC3)ccc2c1.
What is the InChIKey of 2-[4-[[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]cyclohexyl]oxymethyl]cyclohexyl]-6-methylnaphthalene?
The InChIKey is HHENTDNJDFGTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H33F7O2/c1-19-2-5-25-15-24(9-8-23(25)14-19)21-6-3-20(4-7-21)18-40-27-12-10-22(11-13-27)26-16-28(33)30(29(34)17-26)31(35,36)41-32(37,38)39/h2,5,8-9,14-17,20-22,27H,3-4,6-7,10-13,18H2,1H3.
What are the key properties of 2-[4-[[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]cyclohexyl]oxymethyl]cyclohexyl]-6-methylnaphthalene?
2-[4-[[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]cyclohexyl]oxymethyl]cyclohexyl]-6-methylnaphthalene has a molecular weight of 582.60 g/mol, XLogP of 10.03, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-[4-[difluoro(trifluoromethoxy)methyl]-3,5-difluorophenyl]cyclohexyl]oxymethyl]cyclohexyl]-6-methylnaphthalene is sourced from PubChem (CID 90179960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).