(2R)-2-phenyl-2-(trifluoromethylsulfanyl)ethanol

C9H9F3OS — CID 100941135

IUPAC(2R)-2-phenyl-2-(trifluoromethylsulfanyl)ethanol
SMILESOC[C@H](SC(F)(F)F)c1ccccc1
InChIInChI=1S/C9H9F3OS/c10-9(11,12)14-8(6-13)7-4-2-1-3-5-7/h1-5,8,13H,6H2/t8-/m0/s1
InChIKeyVGIVCILWRZYRIX-QMMMGPOBSA-N
MW222.23 g/mol
LogP2.97
Rot. Bonds3

About (2R)-2-phenyl-2-(trifluoromethylsulfanyl)ethanol

(2R)-2-phenyl-2-(trifluoromethylsulfanyl)ethanol (PubChem CID 100941135) has the molecular formula C9H9F3OS and a molecular weight of 222.23 g/mol. Its IUPAC name is (2R)-2-phenyl-2-(trifluoromethylsulfanyl)ethanol.

Molecular Properties

Compound Name(2R)-2-phenyl-2-(trifluoromethylsulfanyl)ethanol
PubChem CID100941135
Molecular FormulaC9H9F3OS
Molecular Weight222.23 g/mol
Exact Mass222.03
IUPAC Name(2R)-2-phenyl-2-(trifluoromethylsulfanyl)ethanol
SMILESOC[C@H](SC(F)(F)F)c1ccccc1
InChIInChI=1S/C9H9F3OS/c10-9(11,12)14-8(6-13)7-4-2-1-3-5-7/h1-5,8,13H,6H2/t8-/m0/s1
InChIKeyVGIVCILWRZYRIX-QMMMGPOBSA-N
XLogP2.97
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-phenyl-2-phenylsulfanylethanol
CID 11264720
[3,3,3-trifluoro-1-[(3,3,3-trifluoro-1-phenylpropyl)disulfanyl]propyl]benzene
CID 87128309
2-pentylsulfanyl-2-phenylethanol
CID 102415484
2-(4-chlorophenyl)sulfanyl-2-phenylethanol
CID 16735964
ethyl (2R)-2-phenyl-2-(trifluoromethylsulfanyl)acetate
CID 125473024
2-phenyl-2-(4-propan-2-ylphenyl)sulfanylethanol
CID 134966659
2-phenyl-3-(trifluoromethyl)but-3-en-1-ol
CID 101388260
2-chloro-3,3-diphenylpropan-1-ol
CID 57151850
(2R)-2-phenyl-2-[[(1R)-2,2,2-trifluoro-1-phenylethyl]amino]ethanol
CID 10946349
3,3-diphenyl-1-sulfinylpropan-1-ol
CID 141113037
(2R,3S)-2,3-dibromo-3-phenylpropan-1-ol
CID 11300855
2-(trifluoromethylsulfanyl)propylbenzene
CID 102526857

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-(trifluoromethylsulfanyl)ethanol?
The IUPAC name of (2R)-2-phenyl-2-(trifluoromethylsulfanyl)ethanol (CID 100941135) is (2R)-2-phenyl-2-(trifluoromethylsulfanyl)ethanol.
What is the SMILES notation for (2R)-2-phenyl-2-(trifluoromethylsulfanyl)ethanol?
The canonical SMILES for (2R)-2-phenyl-2-(trifluoromethylsulfanyl)ethanol is OC[C@H](SC(F)(F)F)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-(trifluoromethylsulfanyl)ethanol?
The InChIKey is VGIVCILWRZYRIX-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H9F3OS/c10-9(11,12)14-8(6-13)7-4-2-1-3-5-7/h1-5,8,13H,6H2/t8-/m0/s1.
What are the key properties of (2R)-2-phenyl-2-(trifluoromethylsulfanyl)ethanol?
(2R)-2-phenyl-2-(trifluoromethylsulfanyl)ethanol has a molecular weight of 222.23 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-(trifluoromethylsulfanyl)ethanol is sourced from PubChem (CID 100941135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).