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

C10H13FO2S — CID 10488905

IUPAC(2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
SMILESCc1ccc([S@](=O)C[C@@H](O)CF)cc1
InChIInChI=1S/C10H13FO2S/c1-8-2-4-10(5-3-8)14(13)7-9(12)6-11/h2-5,9,12H,6-7H2,1H3/t9-,14+/m0/s1
InChIKeyXBTSYSFOHPLWQC-LKFCYVNXSA-N
MW216.28 g/mol
LogP1.43
Rot. Bonds4

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

(2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol (PubChem CID 10488905) has the molecular formula C10H13FO2S and a molecular weight of 216.28 g/mol. Its IUPAC name is (2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
PubChem CID10488905
Molecular FormulaC10H13FO2S
Molecular Weight216.28 g/mol
Exact Mass216.06
IUPAC Name(2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol
SMILESCc1ccc([S@](=O)C[C@@H](O)CF)cc1
InChIInChI=1S/C10H13FO2S/c1-8-2-4-10(5-3-8)14(13)7-9(12)6-11/h2-5,9,12H,6-7H2,1H3/t9-,14+/m0/s1
InChIKeyXBTSYSFOHPLWQC-LKFCYVNXSA-N
XLogP1.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol?
The IUPAC name of (2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol (CID 10488905) is (2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol.
What is the SMILES notation for (2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol?
The canonical SMILES for (2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol is Cc1ccc([S@](=O)C[C@@H](O)CF)cc1.
What is the InChIKey of (2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol?
The InChIKey is XBTSYSFOHPLWQC-LKFCYVNXSA-N. The full InChI is InChI=1S/C10H13FO2S/c1-8-2-4-10(5-3-8)14(13)7-9(12)6-11/h2-5,9,12H,6-7H2,1H3/t9-,14+/m0/s1.
What are the key properties of (2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol?
(2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol has a molecular weight of 216.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-fluoro-3-[(R)-(4-methylphenyl)sulfinyl]propan-2-ol is sourced from PubChem (CID 10488905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).