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

C10H12F2O2S — CID 10489870

IUPAC(2S)-1,1-difluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
SMILESCc1ccc([S@](=O)C[C@@H](O)C(F)F)cc1
InChIInChI=1S/C10H12F2O2S/c1-7-2-4-8(5-3-7)15(14)6-9(13)10(11)12/h2-5,9-10,13H,6H2,1H3/t9-,15-/m1/s1
InChIKeyIWXNBCLGKBFRGN-RFAUZJTJSA-N
MW234.27 g/mol
LogP1.73
Rot. Bonds4

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

(2S)-1,1-difluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol (PubChem CID 10489870) has the molecular formula C10H12F2O2S and a molecular weight of 234.27 g/mol. Its IUPAC name is (2S)-1,1-difluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1,1-difluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
PubChem CID10489870
Molecular FormulaC10H12F2O2S
Molecular Weight234.27 g/mol
Exact Mass234.05
IUPAC Name(2S)-1,1-difluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
SMILESCc1ccc([S@](=O)C[C@@H](O)C(F)F)cc1
InChIInChI=1S/C10H12F2O2S/c1-7-2-4-8(5-3-7)15(14)6-9(13)10(11)12/h2-5,9-10,13H,6H2,1H3/t9-,15-/m1/s1
InChIKeyIWXNBCLGKBFRGN-RFAUZJTJSA-N
XLogP1.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Methanol, 1-[(4-methylphenyl)sulfonyl]-
CID 75131
Ethanol, 2-[(4-methylphenyl)sulfonyl]-
CID 89682
Ethanol, 2-[(4-methylphenyl)thio]-
CID 83313
1,1,1-Trifluoro-3-(4-methylphenyl)sulfanylpropan-2-one
CID 60722950
3-(4-Tert-butylphenyl)sulfinyl-1,1,1-trifluoropropan-2-one
CID 76313035
3-(4-Methylbenzene-1-sulfonyl)propane-1,2-diol
CID 115623
4-[(4-Methylphenyl)sulfonyl]tetrahydro-3-thiopheneol 1,1-dioxide
CID 2829781
(4-Methylphenyl)sulfonylmethyl trifluoromethanesulfonate
CID 308723
1-(Difluoromethylsulfonyl)-4-methylbenzene
CID 2308715
(E)-1-(p-Tolylsulfonyl)-1-propen-3-ol
CID 1735958
1,2-Propanediol, 3-(p-tolylthio)-
CID 115625
2-[1-(2,4-Difluorophenyl)propylsulfonyl]ethanol
CID 71857019

Frequently Asked Questions

What is the IUPAC name of (2S)-1,1-difluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol?
The IUPAC name of (2S)-1,1-difluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol (CID 10489870) is (2S)-1,1-difluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol.
What is the SMILES notation for (2S)-1,1-difluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol?
The canonical SMILES for (2S)-1,1-difluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol is Cc1ccc([S@](=O)C[C@@H](O)C(F)F)cc1.
What is the InChIKey of (2S)-1,1-difluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol?
The InChIKey is IWXNBCLGKBFRGN-RFAUZJTJSA-N. The full InChI is InChI=1S/C10H12F2O2S/c1-7-2-4-8(5-3-7)15(14)6-9(13)10(11)12/h2-5,9-10,13H,6H2,1H3/t9-,15-/m1/s1.
What are the key properties of (2S)-1,1-difluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol?
(2S)-1,1-difluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol has a molecular weight of 234.27 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1-difluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol is sourced from PubChem (CID 10489870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).