3-phenylsulfanyl-2,2-bis(trifluoromethyl)oxirane

C10H6F6OS — CID 15514700

IUPAC3-phenylsulfanyl-2,2-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(C(F)(F)F)OC1Sc1ccccc1
InChIInChI=1S/C10H6F6OS/c11-9(12,13)8(10(14,15)16)7(17-8)18-6-4-2-1-3-5-6/h1-5,7H
InChIKeyXRWMUUGMLFWACJ-UHFFFAOYSA-N
MW288.21 g/mol
LogP4.00
Rot. Bonds2

About 3-phenylsulfanyl-2,2-bis(trifluoromethyl)oxirane

3-phenylsulfanyl-2,2-bis(trifluoromethyl)oxirane (PubChem CID 15514700) has the molecular formula C10H6F6OS and a molecular weight of 288.21 g/mol. Its IUPAC name is 3-phenylsulfanyl-2,2-bis(trifluoromethyl)oxirane.

Molecular Properties

Compound Name3-phenylsulfanyl-2,2-bis(trifluoromethyl)oxirane
PubChem CID15514700
Molecular FormulaC10H6F6OS
Molecular Weight288.21 g/mol
Exact Mass288.00
IUPAC Name3-phenylsulfanyl-2,2-bis(trifluoromethyl)oxirane
SMILESFC(F)(F)C1(C(F)(F)F)OC1Sc1ccccc1
InChIInChI=1S/C10H6F6OS/c11-9(12,13)8(10(14,15)16)7(17-8)18-6-4-2-1-3-5-6/h1-5,7H
InChIKeyXRWMUUGMLFWACJ-UHFFFAOYSA-N
XLogP4.00
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1,1,1-Trifluoro-3-(phenylsulfanyl)propan-2-one
CID 13537623
2-((Phenylsulfanyl)methyl)oxirane
CID 11094998
1,1,1-Trifluoro-3-(4-fluorophenyl)sulfanylpropan-2-one
CID 60648825
4-Fluorophenyl 2-oxiranylmethyl sulfide
CID 588223
[(E)-2-ethoxy-3,3,3-trifluoroprop-1-enyl]sulfanylbenzene
CID 10800553
(2,2,2-Trifluoro-1-methoxyethyl)sulfanylbenzene
CID 11276083
(2S)-1,1,1-trifluoro-3-(phenylsulfanyl)-2-propanol
CID 1481596
2-(Benzenesulfonyl)-3-(trifluoromethyl)oxirane
CID 21100218
2-[(S)-[(1R)-1-(disulfanyl)-3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]selanyl-phenylsulfanylmethyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 134881956
[1,1,2-Trifluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]ethyl]sulfanylbenzene
CID 134920795
1-Fluoro-4-[3-(2,2,3,3-tetrafluoropropoxy)propylsulfanyl]benzene
CID 162413512
(2S)-1-phenylthio-2,3-epoxypropane
CID 12347320

Frequently Asked Questions

What is the IUPAC name of 3-phenylsulfanyl-2,2-bis(trifluoromethyl)oxirane?
The IUPAC name of 3-phenylsulfanyl-2,2-bis(trifluoromethyl)oxirane (CID 15514700) is 3-phenylsulfanyl-2,2-bis(trifluoromethyl)oxirane.
What is the SMILES notation for 3-phenylsulfanyl-2,2-bis(trifluoromethyl)oxirane?
The canonical SMILES for 3-phenylsulfanyl-2,2-bis(trifluoromethyl)oxirane is FC(F)(F)C1(C(F)(F)F)OC1Sc1ccccc1.
What is the InChIKey of 3-phenylsulfanyl-2,2-bis(trifluoromethyl)oxirane?
The InChIKey is XRWMUUGMLFWACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6OS/c11-9(12,13)8(10(14,15)16)7(17-8)18-6-4-2-1-3-5-6/h1-5,7H.
What are the key properties of 3-phenylsulfanyl-2,2-bis(trifluoromethyl)oxirane?
3-phenylsulfanyl-2,2-bis(trifluoromethyl)oxirane has a molecular weight of 288.21 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylsulfanyl-2,2-bis(trifluoromethyl)oxirane is sourced from PubChem (CID 15514700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).