[3-(difluoromethoxy)phenyl]-diphenylsulfanium

C19H15F2OS+ — CID 176874096

IUPAC[3-(difluoromethoxy)phenyl]-diphenylsulfanium
SMILESFC(F)Oc1cccc([S+](c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H15F2OS/c20-19(21)22-15-8-7-13-18(14-15)23(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,19H/q+1
InChIKeyUEPQNBJDLIORIW-UHFFFAOYSA-N
MW329.39 g/mol
LogP5.38
Rot. Bonds5

About [3-(difluoromethoxy)phenyl]-diphenylsulfanium

[3-(difluoromethoxy)phenyl]-diphenylsulfanium (PubChem CID 176874096) has the molecular formula C19H15F2OS+ and a molecular weight of 329.39 g/mol. Its IUPAC name is [3-(difluoromethoxy)phenyl]-diphenylsulfanium.

Molecular Properties

Compound Name[3-(difluoromethoxy)phenyl]-diphenylsulfanium
PubChem CID176874096
Molecular FormulaC19H15F2OS+
Molecular Weight329.39 g/mol
Exact Mass329.08
IUPAC Name[3-(difluoromethoxy)phenyl]-diphenylsulfanium
SMILESFC(F)Oc1cccc([S+](c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C19H15F2OS/c20-19(21)22-15-8-7-13-18(14-15)23(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,19H/q+1
InChIKeyUEPQNBJDLIORIW-UHFFFAOYSA-N
XLogP5.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.39
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

difluoromethoxybenzene;ethane
CID 142246454
1-(difluoromethoxy)-3-(trifluoromethyl)benzene
CID 13405100
CID 171643489
CID 171643489
[3-(2-bromopropanoyloxy)phenyl]-diphenylsulfanium
CID 156683901
1-(difluoromethoxy)-3-(2-phenoxypropyl)benzene
CID 145445557
1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene
CID 171472865
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
(2S)-2-[3-(difluoromethoxy)phenyl]-2-hydroxyacetic acid
CID 170914332
2-bromo-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 129188057
3-(difluoromethoxy)benzonitrile
CID 2736988
[3-(difluoromethoxy)phenyl]methanol
CID 2736994
(1S,2R)-1-amino-1-[3-(difluoromethoxy)phenyl]-3-phenylpropan-2-ol
CID 171268459

Frequently Asked Questions

What is the IUPAC name of [3-(difluoromethoxy)phenyl]-diphenylsulfanium?
The IUPAC name of [3-(difluoromethoxy)phenyl]-diphenylsulfanium (CID 176874096) is [3-(difluoromethoxy)phenyl]-diphenylsulfanium.
What is the SMILES notation for [3-(difluoromethoxy)phenyl]-diphenylsulfanium?
The canonical SMILES for [3-(difluoromethoxy)phenyl]-diphenylsulfanium is FC(F)Oc1cccc([S+](c2ccccc2)c2ccccc2)c1.
What is the InChIKey of [3-(difluoromethoxy)phenyl]-diphenylsulfanium?
The InChIKey is UEPQNBJDLIORIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2OS/c20-19(21)22-15-8-7-13-18(14-15)23(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-14,19H/q+1.
What are the key properties of [3-(difluoromethoxy)phenyl]-diphenylsulfanium?
[3-(difluoromethoxy)phenyl]-diphenylsulfanium has a molecular weight of 329.39 g/mol, XLogP of 5.38, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(difluoromethoxy)phenyl]-diphenylsulfanium is sourced from PubChem (CID 176874096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).