1-(2,2-difluoroethoxy)-2-[3-[3-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]propylsulfanyl]propyl]-3-(trifluoromethyl)benzene

C24H24F10O2S — CID 141247424

IUPAC1-(2,2-difluoroethoxy)-2-[3-[3-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]propylsulfanyl]propyl]-3-(trifluoromethyl)benzene
SMILESFC(F)COc1cccc(C(F)(F)F)c1CCCSCCCc1c(OCC(F)F)cccc1C(F)(F)F
InChIInChI=1S/C24H24F10O2S/c25-21(26)13-35-19-9-1-7-17(23(29,30)31)15(19)5-3-11-37-12-4-6-16-18(24(32,33)34)8-2-10-20(16)36-14-22(27)28/h1-2,7-10,21-22H,3-6,11-14H2
InChIKeyIDVKLWPJYZFUGI-UHFFFAOYSA-N
MW566.50 g/mol
LogP8.31
Rot. Bonds14

About 1-(2,2-difluoroethoxy)-2-[3-[3-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]propylsulfanyl]propyl]-3-(trifluoromethyl)benzene

1-(2,2-difluoroethoxy)-2-[3-[3-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]propylsulfanyl]propyl]-3-(trifluoromethyl)benzene (PubChem CID 141247424) has the molecular formula C24H24F10O2S and a molecular weight of 566.50 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-2-[3-[3-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]propylsulfanyl]propyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-2-[3-[3-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]propylsulfanyl]propyl]-3-(trifluoromethyl)benzene
PubChem CID141247424
Molecular FormulaC24H24F10O2S
Molecular Weight566.50 g/mol
Exact Mass566.13
IUPAC Name1-(2,2-difluoroethoxy)-2-[3-[3-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]propylsulfanyl]propyl]-3-(trifluoromethyl)benzene
SMILESFC(F)COc1cccc(C(F)(F)F)c1CCCSCCCc1c(OCC(F)F)cccc1C(F)(F)F
InChIInChI=1S/C24H24F10O2S/c25-21(26)13-35-19-9-1-7-17(23(29,30)31)15(19)5-3-11-37-12-4-6-16-18(24(32,33)34)8-2-10-20(16)36-14-22(27)28/h1-2,7-10,21-22H,3-6,11-14H2
InChIKeyIDVKLWPJYZFUGI-UHFFFAOYSA-N
XLogP8.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.50
LogP ≤ 58.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-2-[3-[3-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]propylsulfanyl]propyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(2,2-difluoroethoxy)-2-[3-[3-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]propylsulfanyl]propyl]-3-(trifluoromethyl)benzene (CID 141247424) is 1-(2,2-difluoroethoxy)-2-[3-[3-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]propylsulfanyl]propyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-2-[3-[3-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]propylsulfanyl]propyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2,2-difluoroethoxy)-2-[3-[3-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]propylsulfanyl]propyl]-3-(trifluoromethyl)benzene is FC(F)COc1cccc(C(F)(F)F)c1CCCSCCCc1c(OCC(F)F)cccc1C(F)(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-2-[3-[3-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]propylsulfanyl]propyl]-3-(trifluoromethyl)benzene?
The InChIKey is IDVKLWPJYZFUGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F10O2S/c25-21(26)13-35-19-9-1-7-17(23(29,30)31)15(19)5-3-11-37-12-4-6-16-18(24(32,33)34)8-2-10-20(16)36-14-22(27)28/h1-2,7-10,21-22H,3-6,11-14H2.
What are the key properties of 1-(2,2-difluoroethoxy)-2-[3-[3-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]propylsulfanyl]propyl]-3-(trifluoromethyl)benzene?
1-(2,2-difluoroethoxy)-2-[3-[3-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]propylsulfanyl]propyl]-3-(trifluoromethyl)benzene has a molecular weight of 566.50 g/mol, XLogP of 8.31, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-2-[3-[3-[2-(2,2-difluoroethoxy)-6-(trifluoromethyl)phenyl]propylsulfanyl]propyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 141247424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).