2-(2,2-difluoroethenoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene

C23H24F4O — CID 22443443

IUPAC2-(2,2-difluoroethenoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3cc(F)c(OC=C(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C23H24F4O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-20(24)23(21(25)13-19)28-14-22(26)27/h8-16H,2-7H2,1H3
InChIKeyAJIMCTRTWVLOOI-UHFFFAOYSA-N
MW392.44 g/mol
LogP7.82
Rot. Bonds6

About 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene

2-(2,2-difluoroethenoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene (PubChem CID 22443443) has the molecular formula C23H24F4O and a molecular weight of 392.44 g/mol. Its IUPAC name is 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene.

Molecular Properties

Compound Name2-(2,2-difluoroethenoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene
PubChem CID22443443
Molecular FormulaC23H24F4O
Molecular Weight392.44 g/mol
Exact Mass392.18
IUPAC Name2-(2,2-difluoroethenoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene
SMILESCCCC1CCC(c2ccc(-c3cc(F)c(OC=C(F)F)c(F)c3)cc2)CC1
InChIInChI=1S/C23H24F4O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-20(24)23(21(25)13-19)28-14-22(26)27/h8-16H,2-7H2,1H3
InChIKeyAJIMCTRTWVLOOI-UHFFFAOYSA-N
XLogP7.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.44
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[3,5-difluoro-4-(trifluoromethoxy)phenyl]-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene;ethane
CID 144714438
1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enyl]benzene
CID 59247002
1-fluoro-4-[4-(4-propylcyclohexyl)phenyl]benzene
CID 611152
1,3-difluoro-5-[4-(4-pentylcyclohexyl)phenyl]-2-(trifluoromethoxy)benzene
CID 175686006
2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenol;octane
CID 144684748
1,3-difluoro-5-[2-fluoro-4-(4-propylcyclohexyl)phenyl]-2-[(E)-3,3,3-trifluoroprop-1-enoxy]benzene
CID 90293858
2-[4-[3,5-difluoro-4-(trifluoromethoxy)phenyl]phenyl]-6-propyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 22383228
2-fluoro-4-(4-methylphenyl)-1-[4-(4-propylcyclohexyl)phenyl]benzene
CID 121399728
2-fluoro-4-[4-(4-methylcyclohexyl)phenyl]-1-(4-propylcyclohexyl)benzene
CID 54571988
1,3-difluoro-5-[4-(3-propylcyclopentyl)phenyl]-2-(trifluoromethyl)benzene
CID 58555558
2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenol;octane;propane
CID 145122108
1,3-difluoro-5-[2-fluoro-4-[4-(4-propylcyclohexyl)phenyl]phenyl]-2-(trifluoromethyl)benzene
CID 147843126

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene?
The IUPAC name of 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene (CID 22443443) is 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene.
What is the SMILES notation for 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene?
The canonical SMILES for 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene is CCCC1CCC(c2ccc(-c3cc(F)c(OC=C(F)F)c(F)c3)cc2)CC1.
What is the InChIKey of 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene?
The InChIKey is AJIMCTRTWVLOOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F4O/c1-2-3-15-4-6-16(7-5-15)17-8-10-18(11-9-17)19-12-20(24)23(21(25)13-19)28-14-22(26)27/h8-16H,2-7H2,1H3.
What are the key properties of 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene?
2-(2,2-difluoroethenoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene has a molecular weight of 392.44 g/mol, XLogP of 7.82, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethenoxy)-1,3-difluoro-5-[4-(4-propylcyclohexyl)phenyl]benzene is sourced from PubChem (CID 22443443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).