(2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-2-ol

C10H11F3O2S — CID 102096195

IUPAC(2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-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?/m0/s1
InChIKeyGLIYKUFNDONAPU-XUOZKRPMSA-N
MW252.26 g/mol
LogP2.03
Rot. Bonds3

About (2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-2-ol

(2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-2-ol (PubChem CID 102096195) has the molecular formula C10H11F3O2S and a molecular weight of 252.26 g/mol. Its IUPAC name is (2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-2-ol
PubChem CID102096195
Molecular FormulaC10H11F3O2S
Molecular Weight252.26 g/mol
Exact Mass252.04
IUPAC Name(2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-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?/m0/s1
InChIKeyGLIYKUFNDONAPU-XUOZKRPMSA-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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Related Compounds

(2R)-1-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
CID 10932431
(2R,3S)-1-bromo-4-(4-methylphenyl)sulfinylbutane-2,3-diol
CID 100945060
(2S,4R)-5-[(R)-(4-methylphenyl)sulfinyl]pentane-1,2,4-triol
CID 44545147
(1R)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026508
(1S)-2-[(R)-(4-methylphenyl)sulfinyl]-1-phenylethanol
CID 13026509
1-methyl-4-[3,3,3-trifluoro-2-[(4-methylphenyl)sulfonylmethyl]propyl]sulfinylbenzene
CID 67811281
(1S)-1-(2-iodophenyl)-2-[(R)-(4-methylphenyl)sulfinyl]ethanol
CID 23251148
(2R,3S,4S)-3,4-dimethyl-1-[(R)-(4-methylphenyl)sulfinyl]decane-2,3-diol
CID 51032571
1-(2,2-dimethoxyethylsulfinyl)-4-methylbenzene
CID 66220895
1-(4-methylphenyl)sulfinyl-3-(propan-2-ylamino)propan-2-ol
CID 115476871
1,1,1-trifluoro-3-(2-fluorophenyl)sulfinylpropan-2-ol
CID 64717098
(2S)-1-[(R)-(4-methylphenyl)sulfinyl]hept-3-yn-2-ol
CID 10966931

Frequently Asked Questions

What is the IUPAC name of (2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-2-ol?
The IUPAC name of (2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-2-ol (CID 102096195) is (2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-2-ol.
What is the SMILES notation for (2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-2-ol?
The canonical SMILES for (2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-2-ol is Cc1ccc(S(=O)C[C@H](O)C(F)(F)F)cc1.
What is the InChIKey of (2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-2-ol?
The InChIKey is GLIYKUFNDONAPU-XUOZKRPMSA-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?/m0/s1.
What are the key properties of (2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-2-ol?
(2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-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 (2R)-1,1,1-trifluoro-3-(4-methylphenyl)sulfinylpropan-2-ol is sourced from PubChem (CID 102096195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).