4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene

C29H40F6O2 — CID 89280493

IUPAC4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene
SMILESCCCC1CCC(C(F)(F)OC2CCC(C(F)(F)OC3CCC(c4ccc(F)c(F)c4)CC3)CC2)CC1
InChIInChI=1S/C29H40F6O2/c1-2-3-19-4-9-22(10-5-19)28(32,33)37-25-15-11-23(12-16-25)29(34,35)36-24-13-6-20(7-14-24)21-8-17-26(30)27(31)18-21/h8,17-20,22-25H,2-7,9-16H2,1H3
InChIKeyGCYDQFVPZDRIGF-UHFFFAOYSA-N
MW534.63 g/mol
LogP9.38
Rot. Bonds9

About 4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene

4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene (PubChem CID 89280493) has the molecular formula C29H40F6O2 and a molecular weight of 534.63 g/mol. Its IUPAC name is 4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene.

Molecular Properties

Compound Name4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene
PubChem CID89280493
Molecular FormulaC29H40F6O2
Molecular Weight534.63 g/mol
Exact Mass534.29
IUPAC Name4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene
SMILESCCCC1CCC(C(F)(F)OC2CCC(C(F)(F)OC3CCC(c4ccc(F)c(F)c4)CC3)CC2)CC1
InChIInChI=1S/C29H40F6O2/c1-2-3-19-4-9-22(10-5-19)28(32,33)37-25-15-11-23(12-16-25)29(34,35)36-24-13-6-20(7-14-24)21-8-17-26(30)27(31)18-21/h8,17-20,22-25H,2-7,9-16H2,1H3
InChIKeyGCYDQFVPZDRIGF-UHFFFAOYSA-N
XLogP9.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.63
LogP ≤ 59.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene with MolForge

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

Launch Full Analysis

Related Compounds

1,2-difluoro-4-[4-[(4-propylcyclohexyl)methyl]cyclohexyl]benzene
CID 20657061
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
1,2-difluoro-4-[4-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
2-fluoro-1-(fluoromethoxy)-4-(4-propylcyclohexyl)benzene
CID 70841823
1-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 59328968
1,2-difluoro-4-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 54184964
4-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-1,2-difluorobenzene
CID 139724444
4-[4-[4-(4-butylcyclohexyl)cyclohexyl]cyclohexyl]-1,2-difluorobenzene
CID 70499563
4-[4-[difluoro-[4-[(E)-2-(4-methylcyclohexyl)ethenyl]cyclohexyl]methoxy]cyclohexyl]-2-fluoro-1-(trifluoromethyl)benzene
CID 122502192
2-fluoro-1-iodo-4-(4-propylcyclohexyl)benzene
CID 18681375
2-(3,4-difluorophenyl)-6-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;molecular hydrogen
CID 159397311
5-[4-[difluoro-[4-(4-methylcyclohexyl)cyclohexyl]oxymethyl]cyclohexyl]-1,2,3-trifluorobenzene
CID 144902461

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene?
The IUPAC name of 4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene (CID 89280493) is 4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene.
What is the SMILES notation for 4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene?
The canonical SMILES for 4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene is CCCC1CCC(C(F)(F)OC2CCC(C(F)(F)OC3CCC(c4ccc(F)c(F)c4)CC3)CC2)CC1.
What is the InChIKey of 4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene?
The InChIKey is GCYDQFVPZDRIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H40F6O2/c1-2-3-19-4-9-22(10-5-19)28(32,33)37-25-15-11-23(12-16-25)29(34,35)36-24-13-6-20(7-14-24)21-8-17-26(30)27(31)18-21/h8,17-20,22-25H,2-7,9-16H2,1H3.
What are the key properties of 4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene?
4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene has a molecular weight of 534.63 g/mol, XLogP of 9.38, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-[difluoro-(4-propylcyclohexyl)methoxy]cyclohexyl]-difluoromethoxy]cyclohexyl]-1,2-difluorobenzene is sourced from PubChem (CID 89280493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).