(2S)-1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol

C10H11F3O2S — CID 11779969

IUPAC(2S)-1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
SMILESCc1ccc([S@](=O)C[C@@H](O)C(F)(F)F)cc1
InChIInChI=1S/C10H11F3O2S/c1-7-2-4-8(5-3-7)16(15)6-9(14)10(11,12)13/h2-5,9,14H,6H2,1H3/t9-,16-/m1/s1
InChIKeyGLIYKUFNDONAPU-JDNHERCYSA-N
MW252.26 g/mol
LogP2.03
Rot. Bonds3

About (2S)-1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol

(2S)-1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol (PubChem CID 11779969) has the molecular formula C10H11F3O2S and a molecular weight of 252.26 g/mol. Its IUPAC name is (2S)-1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
PubChem CID11779969
Molecular FormulaC10H11F3O2S
Molecular Weight252.26 g/mol
Exact Mass252.04
IUPAC Name(2S)-1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
SMILESCc1ccc([S@](=O)C[C@@H](O)C(F)(F)F)cc1
InChIInChI=1S/C10H11F3O2S/c1-7-2-4-8(5-3-7)16(15)6-9(14)10(11,12)13/h2-5,9,14H,6H2,1H3/t9-,16-/m1/s1
InChIKeyGLIYKUFNDONAPU-JDNHERCYSA-N
XLogP2.03
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol?
The IUPAC name of (2S)-1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol (CID 11779969) is (2S)-1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol.
What is the SMILES notation for (2S)-1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol?
The canonical SMILES for (2S)-1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol is Cc1ccc([S@](=O)C[C@@H](O)C(F)(F)F)cc1.
What is the InChIKey of (2S)-1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol?
The InChIKey is GLIYKUFNDONAPU-JDNHERCYSA-N. The full InChI is InChI=1S/C10H11F3O2S/c1-7-2-4-8(5-3-7)16(15)6-9(14)10(11,12)13/h2-5,9,14H,6H2,1H3/t9-,16-/m1/s1.
What are the key properties of (2S)-1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol?
(2S)-1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol has a molecular weight of 252.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1-trifluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol is sourced from PubChem (CID 11779969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).