1-(3,4-difluorophenyl)-4-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-1,1-difluoroethoxy]-2,3-difluorobenzene

C29H26F8O2 — CID 118858878

IUPAC1-(3,4-difluorophenyl)-4-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-1,1-difluoroethoxy]-2,3-difluorobenzene
SMILESCCCC1CCC(c2ccc(OCC(F)(F)Oc3ccc(-c4ccc(F)c(F)c4)c(F)c3F)c(F)c2F)CC1
InChIInChI=1S/C29H26F8O2/c1-2-3-16-4-6-17(7-5-16)19-9-12-23(27(34)25(19)32)38-15-29(36,37)39-24-13-10-20(26(33)28(24)35)18-8-11-21(30)22(31)14-18/h8-14,16-17H,2-7,15H2,1H3
InChIKeyLQZASCGFBRDLIY-UHFFFAOYSA-N
MW558.51 g/mol
LogP9.31
Rot. Bonds9

About 1-(3,4-difluorophenyl)-4-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-1,1-difluoroethoxy]-2,3-difluorobenzene

1-(3,4-difluorophenyl)-4-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-1,1-difluoroethoxy]-2,3-difluorobenzene (PubChem CID 118858878) has the molecular formula C29H26F8O2 and a molecular weight of 558.51 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-4-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-1,1-difluoroethoxy]-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-4-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-1,1-difluoroethoxy]-2,3-difluorobenzene
PubChem CID118858878
Molecular FormulaC29H26F8O2
Molecular Weight558.51 g/mol
Exact Mass558.18
IUPAC Name1-(3,4-difluorophenyl)-4-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-1,1-difluoroethoxy]-2,3-difluorobenzene
SMILESCCCC1CCC(c2ccc(OCC(F)(F)Oc3ccc(-c4ccc(F)c(F)c4)c(F)c3F)c(F)c2F)CC1
InChIInChI=1S/C29H26F8O2/c1-2-3-16-4-6-17(7-5-16)19-9-12-23(27(34)25(19)32)38-15-29(36,37)39-24-13-10-20(26(33)28(24)35)18-8-11-21(30)22(31)14-18/h8-14,16-17H,2-7,15H2,1H3
InChIKeyLQZASCGFBRDLIY-UHFFFAOYSA-N
XLogP9.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.51
LogP ≤ 59.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(3,4-difluorophenyl)-4-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-1,1-difluoroethoxy]-2,3-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

2,3-difluoro-1-[3-fluoro-4-(fluoromethoxy)phenyl]-4-(4-propylcyclohexyl)benzene
CID 118595774
1-[4-[2,2-difluoro-2-(3,4,5-trifluorophenoxy)ethoxy]phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 118858944
1-[4-(2,3-difluoro-4-pentoxyphenyl)phenyl]-2,3-difluoro-4-(4-propylcyclohexyl)benzene
CID 67730650
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-prop-2-enoxybenzene
CID 67730219
2,3-difluoro-1-[4-[3-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]phenyl]-4-propoxybenzene
CID 67737810
2,3-difluoro-1-(4-propylcyclohexyl)-4-(3,4,5-trifluorophenyl)benzene
CID 118593448
1-[4-(2,3-difluoro-4-octoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67738142
1-[4-(2,3-difluoro-4-heptoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 67738139
1-(4-butylcyclohexyl)-2,3-difluoro-4-(3-fluoro-4-propoxyphenyl)benzene
CID 141107099
2,3-difluoro-1-[4-[3-fluoro-4-(4-propylcyclohexyl)phenyl]phenyl]-4-octoxybenzene
CID 67730257
2,3-difluoro-1-(4-fluorophenyl)-4-(4-propylcyclohexyl)benzene
CID 118593483
1-[4-(2,3-difluoro-4-octoxyphenyl)phenyl]-2,3-difluoro-4-[4-(4-pentylcyclohexyl)cyclohexyl]benzene
CID 67738211

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-4-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-1,1-difluoroethoxy]-2,3-difluorobenzene?
The IUPAC name of 1-(3,4-difluorophenyl)-4-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-1,1-difluoroethoxy]-2,3-difluorobenzene (CID 118858878) is 1-(3,4-difluorophenyl)-4-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-1,1-difluoroethoxy]-2,3-difluorobenzene.
What is the SMILES notation for 1-(3,4-difluorophenyl)-4-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-1,1-difluoroethoxy]-2,3-difluorobenzene?
The canonical SMILES for 1-(3,4-difluorophenyl)-4-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-1,1-difluoroethoxy]-2,3-difluorobenzene is CCCC1CCC(c2ccc(OCC(F)(F)Oc3ccc(-c4ccc(F)c(F)c4)c(F)c3F)c(F)c2F)CC1.
What is the InChIKey of 1-(3,4-difluorophenyl)-4-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-1,1-difluoroethoxy]-2,3-difluorobenzene?
The InChIKey is LQZASCGFBRDLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F8O2/c1-2-3-16-4-6-17(7-5-16)19-9-12-23(27(34)25(19)32)38-15-29(36,37)39-24-13-10-20(26(33)28(24)35)18-8-11-21(30)22(31)14-18/h8-14,16-17H,2-7,15H2,1H3.
What are the key properties of 1-(3,4-difluorophenyl)-4-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-1,1-difluoroethoxy]-2,3-difluorobenzene?
1-(3,4-difluorophenyl)-4-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-1,1-difluoroethoxy]-2,3-difluorobenzene has a molecular weight of 558.51 g/mol, XLogP of 9.31, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-4-[2-[2,3-difluoro-4-(4-propylcyclohexyl)phenoxy]-1,1-difluoroethoxy]-2,3-difluorobenzene is sourced from PubChem (CID 118858878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).