(2S)-2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol

C9H12FNOS — CID 118046368

IUPAC(2S)-2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol
SMILESCSc1cc(F)cc([C@H](N)CO)c1
InChIInChI=1S/C9H12FNOS/c1-13-8-3-6(9(11)5-12)2-7(10)4-8/h2-4,9,12H,5,11H2,1H3/t9-/m1/s1
InChIKeyQXCDYIATOCSNQA-SECBINFHSA-N
MW201.27 g/mol
LogP1.54
Rot. Bonds3

About (2S)-2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol

(2S)-2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol (PubChem CID 118046368) has the molecular formula C9H12FNOS and a molecular weight of 201.27 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol
PubChem CID118046368
Molecular FormulaC9H12FNOS
Molecular Weight201.27 g/mol
Exact Mass201.06
IUPAC Name(2S)-2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol
SMILESCSc1cc(F)cc([C@H](N)CO)c1
InChIInChI=1S/C9H12FNOS/c1-13-8-3-6(9(11)5-12)2-7(10)4-8/h2-4,9,12H,5,11H2,1H3/t9-/m1/s1
InChIKeyQXCDYIATOCSNQA-SECBINFHSA-N
XLogP1.54
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-2-(4-fluorophenyl)ethanol
CID 14853201
2-Amino-2-(4-methanesulfonylphenyl)ethan-1-ol
CID 77130023
(S)-2-Amino-2-(4-fluorophenyl)ethanol
CID 51669578
(S)-2-Amino-2-(3,4,5-trifluorophenyl)ethan-1-OL
CID 55278655
2-Amino-2-(3-fluorophenyl)ethanol
CID 45090613
(R)-2-Amino-2-(4-fluorophenyl)ethanol
CID 10583003
(1R,2S)-2-Amino-3-fluoro-1-[4-(methylsulfanyl)phenyl]propan-1-ol
CID 10998413
(2S)-2-Amino-2-(2-fluorophenyl)ethan-1-OL
CID 11126491
2-Amino-3-fluoro-1-(4-methylsulfanylphenyl)propan-1-ol
CID 13979209
2-Amino-2-(2-fluorophenyl)ethanol
CID 14853179
2-Amino-2-(3,5-difluorophenyl)ethan-1-ol
CID 14853295
beta-Amino-4'-[(difluoromethyl)thio][1,1'-biphenyl]-4-ethanol
CID 18786423

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol?
The IUPAC name of (2S)-2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol (CID 118046368) is (2S)-2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol.
What is the SMILES notation for (2S)-2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol?
The canonical SMILES for (2S)-2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol is CSc1cc(F)cc([C@H](N)CO)c1.
What is the InChIKey of (2S)-2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol?
The InChIKey is QXCDYIATOCSNQA-SECBINFHSA-N. The full InChI is InChI=1S/C9H12FNOS/c1-13-8-3-6(9(11)5-12)2-7(10)4-8/h2-4,9,12H,5,11H2,1H3/t9-/m1/s1.
What are the key properties of (2S)-2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol?
(2S)-2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol has a molecular weight of 201.27 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3-fluoro-5-methylsulfanylphenyl)ethanol is sourced from PubChem (CID 118046368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).