2-amino-1-(3-fluoro-5-methylsulfonylphenyl)ethanol

C9H12FNO3S — CID 84696588

IUPAC2-amino-1-(3-fluoro-5-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1cc(F)cc(C(O)CN)c1
InChIInChI=1S/C9H12FNO3S/c1-15(13,14)8-3-6(9(12)5-11)2-7(10)4-8/h2-4,9,12H,5,11H2,1H3
InChIKeyPLOJJQYAIUVWKB-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.22
Rot. Bonds3

About 2-amino-1-(3-fluoro-5-methylsulfonylphenyl)ethanol

2-amino-1-(3-fluoro-5-methylsulfonylphenyl)ethanol (PubChem CID 84696588) has the molecular formula C9H12FNO3S and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-amino-1-(3-fluoro-5-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-fluoro-5-methylsulfonylphenyl)ethanol
PubChem CID84696588
Molecular FormulaC9H12FNO3S
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name2-amino-1-(3-fluoro-5-methylsulfonylphenyl)ethanol
SMILESCS(=O)(=O)c1cc(F)cc(C(O)CN)c1
InChIInChI=1S/C9H12FNO3S/c1-15(13,14)8-3-6(9(12)5-11)2-7(10)4-8/h2-4,9,12H,5,11H2,1H3
InChIKeyPLOJJQYAIUVWKB-UHFFFAOYSA-N
XLogP0.22
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-5-methylsulfonylphenyl)ethanol
CID 84683544
1-fluoro-3-methylsulfonyl-5-propan-2-ylbenzene;1-methoxy-3-methylsulfonyl-5-propan-2-ylbenzene
CID 176666160
4-amino-3-(3,5-difluorophenyl)-1-methylsulfonylbutan-2-ol
CID 65189953
2-(3-fluoro-5-methylsulfonylphenoxy)ethanamine
CID 70979658
1-(3,5-difluorophenyl)-4-ethylsulfonylbutan-1-ol
CID 65095439
3-amino-1-(2-fluoro-4-methylsulfonylphenyl)propan-1-ol
CID 84803337
3-(3-fluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117336179
3-amino-1-(3-fluoro-5-methylphenyl)propan-1-ol
CID 84769044
[1-(3-fluoro-5-methylsulfonylphenyl)cyclobutyl]methanamine
CID 117396628
2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-amine
CID 117375876
2-amino-1-(5-methylsulfonyl-1,3-benzoxazol-2-yl)ethanol
CID 81433445
methyl 3-(3,5-difluorophenyl)-3-hydroxypropanoate
CID 19770417

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-fluoro-5-methylsulfonylphenyl)ethanol?
The IUPAC name of 2-amino-1-(3-fluoro-5-methylsulfonylphenyl)ethanol (CID 84696588) is 2-amino-1-(3-fluoro-5-methylsulfonylphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-fluoro-5-methylsulfonylphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-fluoro-5-methylsulfonylphenyl)ethanol is CS(=O)(=O)c1cc(F)cc(C(O)CN)c1.
What is the InChIKey of 2-amino-1-(3-fluoro-5-methylsulfonylphenyl)ethanol?
The InChIKey is PLOJJQYAIUVWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3S/c1-15(13,14)8-3-6(9(12)5-11)2-7(10)4-8/h2-4,9,12H,5,11H2,1H3.
What are the key properties of 2-amino-1-(3-fluoro-5-methylsulfonylphenyl)ethanol?
2-amino-1-(3-fluoro-5-methylsulfonylphenyl)ethanol has a molecular weight of 233.26 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-fluoro-5-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 84696588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).