5-[1,1-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propoxy]-1,2,3-trifluorobenzene

C24H26F6O — CID 59048983

IUPAC5-[1,1-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propoxy]-1,2,3-trifluorobenzene
SMILESCCCC1CCC(c2ccc(CCC(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C24H26F6O/c1-2-3-15-4-6-16(7-5-15)18-9-8-17(20(25)12-18)10-11-24(29,30)31-19-13-21(26)23(28)22(27)14-19/h8-9,12-16H,2-7,10-11H2,1H3
InChIKeyQGLIXGMSBCDKGZ-UHFFFAOYSA-N
MW444.46 g/mol
LogP7.92
Rot. Bonds8

About 5-[1,1-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propoxy]-1,2,3-trifluorobenzene

5-[1,1-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propoxy]-1,2,3-trifluorobenzene (PubChem CID 59048983) has the molecular formula C24H26F6O and a molecular weight of 444.46 g/mol. Its IUPAC name is 5-[1,1-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propoxy]-1,2,3-trifluorobenzene.

Molecular Properties

Compound Name5-[1,1-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propoxy]-1,2,3-trifluorobenzene
PubChem CID59048983
Molecular FormulaC24H26F6O
Molecular Weight444.46 g/mol
Exact Mass444.19
IUPAC Name5-[1,1-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propoxy]-1,2,3-trifluorobenzene
SMILESCCCC1CCC(c2ccc(CCC(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C24H26F6O/c1-2-3-15-4-6-16(7-5-15)18-9-8-17(20(25)12-18)10-11-24(29,30)31-19-13-21(26)23(28)22(27)14-19/h8-9,12-16H,2-7,10-11H2,1H3
InChIKeyQGLIXGMSBCDKGZ-UHFFFAOYSA-N
XLogP7.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.46
LogP ≤ 57.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5-[1,1-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propoxy]-1,2,3-trifluorobenzene 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

2-[3,3-difluoro-3-(3,4,5-trifluorophenoxy)propyl]-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene
CID 59048966
5-[4-[1,1-difluoro-3-[4-(4-propylcyclohexyl)phenyl]propoxy]-2-fluorophenyl]-1,2,3-trifluorobenzene
CID 59048845
1-[3,3-difluoro-3-[3-fluoro-4-(trifluoromethoxy)phenoxy]propyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 118858844
5-[difluoro-[4-(4-propylcyclohexyl)phenyl]methoxy]-1,2,3-trifluorobenzene
CID 70176343
2-fluoro-1-[2-[2-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethoxy]ethyl]-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 140976227
2-[4-[3,3-difluoro-3-(3,4,5-trifluorophenoxy)propyl]-2,3-difluorophenyl]-5-propyloxane
CID 118858617
5-[(E)-1,1-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]prop-2-enoxy]-1,2,3-trifluorobenzene
CID 58077480
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
2-[3-[3,5-difluoro-4-(3,3,3-trifluoroprop-1-ynyl)phenoxy]-3,3-difluoropropyl]-1,3-difluoro-5-(4-propylcyclohexyl)benzene
CID 59246809
4-[3,3-difluoro-3-[4-(4-propylcyclohexyl)phenoxy]propyl]-1-ethoxy-2,3-difluoro-5-methylbenzene
CID 59592366
2-fluoro-1-[2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethyl]-4-(4-propylcyclohexyl)benzene
CID 19366440
4-(4-butylcyclohexyl)-2-fluoro-1-[2-[4-(trifluoromethoxy)phenyl]ethyl]benzene
CID 54522843

Frequently Asked Questions

What is the IUPAC name of 5-[1,1-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propoxy]-1,2,3-trifluorobenzene?
The IUPAC name of 5-[1,1-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propoxy]-1,2,3-trifluorobenzene (CID 59048983) is 5-[1,1-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propoxy]-1,2,3-trifluorobenzene.
What is the SMILES notation for 5-[1,1-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propoxy]-1,2,3-trifluorobenzene?
The canonical SMILES for 5-[1,1-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propoxy]-1,2,3-trifluorobenzene is CCCC1CCC(c2ccc(CCC(F)(F)Oc3cc(F)c(F)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 5-[1,1-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propoxy]-1,2,3-trifluorobenzene?
The InChIKey is QGLIXGMSBCDKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F6O/c1-2-3-15-4-6-16(7-5-15)18-9-8-17(20(25)12-18)10-11-24(29,30)31-19-13-21(26)23(28)22(27)14-19/h8-9,12-16H,2-7,10-11H2,1H3.
What are the key properties of 5-[1,1-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propoxy]-1,2,3-trifluorobenzene?
5-[1,1-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propoxy]-1,2,3-trifluorobenzene has a molecular weight of 444.46 g/mol, XLogP of 7.92, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1,1-difluoro-3-[2-fluoro-4-(4-propylcyclohexyl)phenyl]propoxy]-1,2,3-trifluorobenzene is sourced from PubChem (CID 59048983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).