2-amino-3-fluoro-3-(3-methylsulfonylphenyl)propan-1-ol

C10H14FNO3S — CID 18966063

IUPAC2-amino-3-fluoro-3-(3-methylsulfonylphenyl)propan-1-ol
SMILESCS(=O)(=O)c1cccc(C(F)C(N)CO)c1
InChIInChI=1S/C10H14FNO3S/c1-16(14,15)8-4-2-3-7(5-8)10(11)9(12)6-13/h2-5,9-10,13H,6,12H2,1H3
InChIKeyZMJKSKOYPUAIPO-UHFFFAOYSA-N
MW247.29 g/mol
LogP0.42
Rot. Bonds4

About 2-amino-3-fluoro-3-(3-methylsulfonylphenyl)propan-1-ol

2-amino-3-fluoro-3-(3-methylsulfonylphenyl)propan-1-ol (PubChem CID 18966063) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is 2-amino-3-fluoro-3-(3-methylsulfonylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-amino-3-fluoro-3-(3-methylsulfonylphenyl)propan-1-ol
PubChem CID18966063
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC Name2-amino-3-fluoro-3-(3-methylsulfonylphenyl)propan-1-ol
SMILESCS(=O)(=O)c1cccc(C(F)C(N)CO)c1
InChIInChI=1S/C10H14FNO3S/c1-16(14,15)8-4-2-3-7(5-8)10(11)9(12)6-13/h2-5,9-10,13H,6,12H2,1H3
InChIKeyZMJKSKOYPUAIPO-UHFFFAOYSA-N
XLogP0.42
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-3-(3-methylsulfonylphenyl)propan-1-ol?
The IUPAC name of 2-amino-3-fluoro-3-(3-methylsulfonylphenyl)propan-1-ol (CID 18966063) is 2-amino-3-fluoro-3-(3-methylsulfonylphenyl)propan-1-ol.
What is the SMILES notation for 2-amino-3-fluoro-3-(3-methylsulfonylphenyl)propan-1-ol?
The canonical SMILES for 2-amino-3-fluoro-3-(3-methylsulfonylphenyl)propan-1-ol is CS(=O)(=O)c1cccc(C(F)C(N)CO)c1.
What is the InChIKey of 2-amino-3-fluoro-3-(3-methylsulfonylphenyl)propan-1-ol?
The InChIKey is ZMJKSKOYPUAIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-16(14,15)8-4-2-3-7(5-8)10(11)9(12)6-13/h2-5,9-10,13H,6,12H2,1H3.
What are the key properties of 2-amino-3-fluoro-3-(3-methylsulfonylphenyl)propan-1-ol?
2-amino-3-fluoro-3-(3-methylsulfonylphenyl)propan-1-ol has a molecular weight of 247.29 g/mol, XLogP of 0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-3-(3-methylsulfonylphenyl)propan-1-ol is sourced from PubChem (CID 18966063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).