2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride

C10H15ClFNO3S — CID 19422964

IUPAC2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride
SMILESCS(=O)(=O)c1ccc(C(O)C(N)CF)cc1.Cl
InChIInChI=1S/C10H14FNO3S.ClH/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(12)6-11;/h2-5,9-10,13H,6,12H2,1H3;1H
InChIKeyHWPBPTAOXVIKGI-UHFFFAOYSA-N
MW283.75 g/mol
LogP0.84
Rot. Bonds4

About 2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride

2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride (PubChem CID 19422964) has the molecular formula C10H15ClFNO3S and a molecular weight of 283.75 g/mol. Its IUPAC name is 2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride.

Molecular Properties

Compound Name2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride
PubChem CID19422964
Molecular FormulaC10H15ClFNO3S
Molecular Weight283.75 g/mol
Exact Mass283.04
IUPAC Name2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride
SMILESCS(=O)(=O)c1ccc(C(O)C(N)CF)cc1.Cl
InChIInChI=1S/C10H14FNO3S.ClH/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(12)6-11;/h2-5,9-10,13H,6,12H2,1H3;1H
InChIKeyHWPBPTAOXVIKGI-UHFFFAOYSA-N
XLogP0.84
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.75
LogP ≤ 50.84
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-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride?
The IUPAC name of 2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride (CID 19422964) is 2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride.
What is the SMILES notation for 2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride?
The canonical SMILES for 2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride is CS(=O)(=O)c1ccc(C(O)C(N)CF)cc1.Cl.
What is the InChIKey of 2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride?
The InChIKey is HWPBPTAOXVIKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S.ClH/c1-16(14,15)8-4-2-7(3-5-8)10(13)9(12)6-11;/h2-5,9-10,13H,6,12H2,1H3;1H.
What are the key properties of 2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride?
2-amino-3-fluoro-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride has a molecular weight of 283.75 g/mol, XLogP of 0.84, 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-1-(4-methylsulfonylphenyl)propan-1-ol;hydrochloride is sourced from PubChem (CID 19422964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).