2-(2,2-difluoroethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene

C23H24F6O — CID 22443458

IUPAC2-(2,2-difluoroethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene
SMILESCCCC1CCC(c2cc(F)c(-c3cc(F)c(OCC(F)F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C23H24F6O/c1-2-3-13-4-6-14(7-5-13)15-8-17(24)22(18(25)9-15)16-10-19(26)23(20(27)11-16)30-12-21(28)29/h8-11,13-14,21H,2-7,12H2,1H3
InChIKeySHFSGNCGDAEHFC-UHFFFAOYSA-N
MW430.43 g/mol
LogP7.63
Rot. Bonds7

About 2-(2,2-difluoroethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene

2-(2,2-difluoroethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene (PubChem CID 22443458) has the molecular formula C23H24F6O and a molecular weight of 430.43 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene
PubChem CID22443458
Molecular FormulaC23H24F6O
Molecular Weight430.43 g/mol
Exact Mass430.17
IUPAC Name2-(2,2-difluoroethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene
SMILESCCCC1CCC(c2cc(F)c(-c3cc(F)c(OCC(F)F)c(F)c3)c(F)c2)CC1
InChIInChI=1S/C23H24F6O/c1-2-3-13-4-6-14(7-5-13)15-8-17(24)22(18(25)9-15)16-10-19(26)23(20(27)11-16)30-12-21(28)29/h8-11,13-14,21H,2-7,12H2,1H3
InChIKeySHFSGNCGDAEHFC-UHFFFAOYSA-N
XLogP7.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.43
LogP ≤ 57.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(2,2-difluoroethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene?
The IUPAC name of 2-(2,2-difluoroethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene (CID 22443458) is 2-(2,2-difluoroethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene?
The canonical SMILES for 2-(2,2-difluoroethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene is CCCC1CCC(c2cc(F)c(-c3cc(F)c(OCC(F)F)c(F)c3)c(F)c2)CC1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene?
The InChIKey is SHFSGNCGDAEHFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6O/c1-2-3-13-4-6-14(7-5-13)15-8-17(24)22(18(25)9-15)16-10-19(26)23(20(27)11-16)30-12-21(28)29/h8-11,13-14,21H,2-7,12H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene?
2-(2,2-difluoroethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene has a molecular weight of 430.43 g/mol, XLogP of 7.63, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-5-[2,6-difluoro-4-(4-propylcyclohexyl)phenyl]-1,3-difluorobenzene is sourced from PubChem (CID 22443458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).