[4-(difluoromethoxy)phenyl]-phenyl-(trifluoromethyl)sulfanium

C14H10F5OS+ — CID 22007900

IUPAC[4-(difluoromethoxy)phenyl]-phenyl-(trifluoromethyl)sulfanium
SMILESFC(F)Oc1ccc([S+](c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C14H10F5OS/c15-13(16)20-10-6-8-12(9-7-10)21(14(17,18)19)11-4-2-1-3-5-11/h1-9,13H/q+1
InChIKeyBSSUVPNLUIALFF-UHFFFAOYSA-N
MW321.29 g/mol
LogP4.84
Rot. Bonds4

About [4-(difluoromethoxy)phenyl]-phenyl-(trifluoromethyl)sulfanium

[4-(difluoromethoxy)phenyl]-phenyl-(trifluoromethyl)sulfanium (PubChem CID 22007900) has the molecular formula C14H10F5OS+ and a molecular weight of 321.29 g/mol. Its IUPAC name is [4-(difluoromethoxy)phenyl]-phenyl-(trifluoromethyl)sulfanium.

Molecular Properties

Compound Name[4-(difluoromethoxy)phenyl]-phenyl-(trifluoromethyl)sulfanium
PubChem CID22007900
Molecular FormulaC14H10F5OS+
Molecular Weight321.29 g/mol
Exact Mass321.04
IUPAC Name[4-(difluoromethoxy)phenyl]-phenyl-(trifluoromethyl)sulfanium
SMILESFC(F)Oc1ccc([S+](c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C14H10F5OS/c15-13(16)20-10-6-8-12(9-7-10)21(14(17,18)19)11-4-2-1-3-5-11/h1-9,13H/q+1
InChIKeyBSSUVPNLUIALFF-UHFFFAOYSA-N
XLogP4.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 54.84
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

1-[fluoro(fluoro)methoxy]-4-phenylbenzene
CID 172516407
difluoromethoxybenzene;ethane
CID 142246454
bis[4-(2-phenylpropan-2-yl)phenyl]-(trifluoromethyl)sulfanium
CID 42604677
[3-(difluoromethoxy)phenyl]-diphenylsulfanium
CID 176874096
1-[4-(difluoromethoxy)phenyl]-N-(1-phenylethyl)methanimine
CID 21205334
1-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118812996
4-(difluoromethoxy)aniline
CID 737363
4-(difluoromethoxy)benzaldehyde
CID 2736986
1-(1,1,1,3,3-pentafluoropropan-2-yloxy)-4-phenylbenzene
CID 150268284
4-(difluoromethoxy)-1-fluoro-2-(trifluoromethyl)benzene
CID 71669364
4-(difluoromethoxy)benzenesulfonate
CID 150290603
2-[4-(difluoromethoxy)anilino]benzoic acid
CID 2398458

Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethoxy)phenyl]-phenyl-(trifluoromethyl)sulfanium?
The IUPAC name of [4-(difluoromethoxy)phenyl]-phenyl-(trifluoromethyl)sulfanium (CID 22007900) is [4-(difluoromethoxy)phenyl]-phenyl-(trifluoromethyl)sulfanium.
What is the SMILES notation for [4-(difluoromethoxy)phenyl]-phenyl-(trifluoromethyl)sulfanium?
The canonical SMILES for [4-(difluoromethoxy)phenyl]-phenyl-(trifluoromethyl)sulfanium is FC(F)Oc1ccc([S+](c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of [4-(difluoromethoxy)phenyl]-phenyl-(trifluoromethyl)sulfanium?
The InChIKey is BSSUVPNLUIALFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F5OS/c15-13(16)20-10-6-8-12(9-7-10)21(14(17,18)19)11-4-2-1-3-5-11/h1-9,13H/q+1.
What are the key properties of [4-(difluoromethoxy)phenyl]-phenyl-(trifluoromethyl)sulfanium?
[4-(difluoromethoxy)phenyl]-phenyl-(trifluoromethyl)sulfanium has a molecular weight of 321.29 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethoxy)phenyl]-phenyl-(trifluoromethyl)sulfanium is sourced from PubChem (CID 22007900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).