(1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol

C11H15FO3S — CID 59667462

IUPAC(1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol
SMILESC[C@H](CF)[C@@H](O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H15FO3S/c1-8(7-12)11(13)9-3-5-10(6-4-9)16(2,14)15/h3-6,8,11,13H,7H2,1-2H3/t8-,11-/m1/s1
InChIKeyCZHCTQQCHZPYFU-LDYMZIIASA-N
MW246.30 g/mol
LogP1.73
Rot. Bonds4

About (1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol

(1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol (PubChem CID 59667462) has the molecular formula C11H15FO3S and a molecular weight of 246.30 g/mol. Its IUPAC name is (1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol
PubChem CID59667462
Molecular FormulaC11H15FO3S
Molecular Weight246.30 g/mol
Exact Mass246.07
IUPAC Name(1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol
SMILESC[C@H](CF)[C@@H](O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C11H15FO3S/c1-8(7-12)11(13)9-3-5-10(6-4-9)16(2,14)15/h3-6,8,11,13H,7H2,1-2H3/t8-,11-/m1/s1
InChIKeyCZHCTQQCHZPYFU-LDYMZIIASA-N
XLogP1.73
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol
CID 69143338
2-ethyl-1-(4-methylsulfonylphenyl)butan-1-ol
CID 115821895
ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
CID 143418064
[(1S)-3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]carbamic acid
CID 175773285
(1R,2S)-2-amino-1-(4-methylsulfonylphenyl)propane-1,3-diol
CID 12936087
2-chloro-N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]acetamide
CID 14597706
N-[3-fluoro-1-hydroxy-1-(4-methylsulfonylphenyl)propan-2-yl]propanethioamide
CID 19422981
(1R,2R)-2-(ethylamino)-1-(4-methylsulfonylphenyl)propane-1,3-diol;propane
CID 162082008
chloro-(4-methylsulfonylphenyl)methanol
CID 172793429
amino-(4-methylsulfonylphenyl)methanol
CID 116939660
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385
(1S,2R)-1-(4-fluorophenyl)-2-(4-methylsulfonylanilino)propan-1-ol
CID 99857846

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol?
The IUPAC name of (1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol (CID 59667462) is (1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol.
What is the SMILES notation for (1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol?
The canonical SMILES for (1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol is C[C@H](CF)[C@@H](O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol?
The InChIKey is CZHCTQQCHZPYFU-LDYMZIIASA-N. The full InChI is InChI=1S/C11H15FO3S/c1-8(7-12)11(13)9-3-5-10(6-4-9)16(2,14)15/h3-6,8,11,13H,7H2,1-2H3/t8-,11-/m1/s1.
What are the key properties of (1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol?
(1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol has a molecular weight of 246.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol is sourced from PubChem (CID 59667462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).