1-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene

C36H41F5O — CID 59328968

IUPAC1-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(C(F)(F)OC4CCC(c5ccc(F)c(F)c5)CC4)c(F)c3)cc2)CC1
InChIInChI=1S/C36H41F5O/c1-2-3-4-5-24-6-8-25(9-7-24)26-10-12-27(13-11-26)29-16-20-32(34(38)22-29)36(40,41)42-31-18-14-28(15-19-31)30-17-21-33(37)35(39)23-30/h10-13,16-17,20-25,28,31H,2-9,14-15,18-19H2,1H3
InChIKeyGPIMCBRFWLAEIF-UHFFFAOYSA-N
MW584.71 g/mol
LogP11.42
Rot. Bonds10

About 1-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene

1-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene (PubChem CID 59328968) has the molecular formula C36H41F5O and a molecular weight of 584.71 g/mol. Its IUPAC name is 1-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name1-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene
PubChem CID59328968
Molecular FormulaC36H41F5O
Molecular Weight584.71 g/mol
Exact Mass584.31
IUPAC Name1-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene
SMILESCCCCCC1CCC(c2ccc(-c3ccc(C(F)(F)OC4CCC(c5ccc(F)c(F)c5)CC4)c(F)c3)cc2)CC1
InChIInChI=1S/C36H41F5O/c1-2-3-4-5-24-6-8-25(9-7-24)26-10-12-27(13-11-26)29-16-20-32(34(38)22-29)36(40,41)42-31-18-14-28(15-19-31)30-17-21-33(37)35(39)23-30/h10-13,16-17,20-25,28,31H,2-9,14-15,18-19H2,1H3
InChIKeyGPIMCBRFWLAEIF-UHFFFAOYSA-N
XLogP11.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500584.71
LogP ≤ 511.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene 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-[2-(4-pentylcyclohexyl)ethyl]cyclohexyl]benzene
CID 587774
1,2-difluoro-4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]benzene
CID 10882919
5-[4-[4-[difluoro-[2-fluoro-4-(4-pentylphenyl)phenyl]methoxy]cyclohexyl]cyclohexyl]-1,2,3-trifluorobenzene
CID 59328306
4-(4-butylcyclohexyl)-1,2-difluorobenzene
CID 20677031
2-[4-[4-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentyl-1,3-dioxane
CID 59328937
2-(3,4-difluorophenyl)-5-[4-(4-nonylcyclohexyl)phenyl]pyrimidine
CID 18650816
2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]-1-(trifluoromethoxy)benzene
CID 19436057
1-(4-heptylcyclohexyl)-4-[4-(4-heptylcyclohexyl)phenyl]benzene
CID 20538283
1-(4-octylcyclohexyl)-4-[4-(4-pentylcyclohexyl)phenyl]benzene
CID 20538109
1-(4-hexylcyclohexyl)-4-[4-(4-hexylcyclohexyl)phenyl]benzene
CID 20538420
1,2-difluoro-4-[4-[2-(4-heptylcyclohexyl)ethenyl]cyclohexyl]benzene
CID 54184964
4-[4-(3,4-difluorophenyl)phenyl]-1-(4-pentylcyclohexyl)silinane
CID 54734843

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The IUPAC name of 1-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene (CID 59328968) is 1-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 1-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The canonical SMILES for 1-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene is CCCCCC1CCC(c2ccc(-c3ccc(C(F)(F)OC4CCC(c5ccc(F)c(F)c5)CC4)c(F)c3)cc2)CC1.
What is the InChIKey of 1-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
The InChIKey is GPIMCBRFWLAEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41F5O/c1-2-3-4-5-24-6-8-25(9-7-24)26-10-12-27(13-11-26)29-16-20-32(34(38)22-29)36(40,41)42-31-18-14-28(15-19-31)30-17-21-33(37)35(39)23-30/h10-13,16-17,20-25,28,31H,2-9,14-15,18-19H2,1H3.
What are the key properties of 1-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene?
1-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene has a molecular weight of 584.71 g/mol, XLogP of 11.42, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3,4-difluorophenyl)cyclohexyl]oxy-difluoromethyl]-2-fluoro-4-[4-(4-pentylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 59328968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).