1-amino-3-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-ol

C10H12F3NO2S — CID 115478202

IUPAC1-amino-3-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-ol
SMILESNCC(O)CS(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO2S/c11-10(12,13)7-2-1-3-9(4-7)17(16)6-8(15)5-14/h1-4,8,15H,5-6,14H2
InChIKeyCJNBLAIHTKEJKZ-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.13
Rot. Bonds4

About 1-amino-3-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-ol

1-amino-3-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-ol (PubChem CID 115478202) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 1-amino-3-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-ol.

Molecular Properties

Compound Name1-amino-3-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-ol
PubChem CID115478202
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name1-amino-3-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-ol
SMILESNCC(O)CS(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H12F3NO2S/c11-10(12,13)7-2-1-3-9(4-7)17(16)6-8(15)5-14/h1-4,8,15H,5-6,14H2
InChIKeyCJNBLAIHTKEJKZ-UHFFFAOYSA-N
XLogP1.13
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxyethyl)-3-(methylsulfanylmethyl)benzenesulfonamide
CID 71688879
N-(2-hydroxy-2-methyl-3-(methylthio)propyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71787222
2-[3-(Trifluoromethyl)phenyl]sulfonylethanol
CID 2760766
(2R)-1-amino-3-[(2-fluorophenyl)methylsulfanyl]propan-2-ol
CID 54312431
2-[3-(Trifluoromethyl)phenyl]sulfonylethanamine
CID 58684070
3-[3-(Trifluoromethyl)phenyl]sulfinylpropan-1-amine
CID 58684235
2-[3-(Trifluoromethyl)phenyl]sulfinylethanamine
CID 58684407
3-[3-(Trifluoromethyl)phenyl]sulfonylpropan-1-amine
CID 58685008
1-Azido-3-methyl-3-{[3-(trifluoromethyl)phenyl]sulfonyl}butan-2-ol
CID 86655266
1-Amino-4-methyl-3-[2-(trifluoromethyl)phenyl]sulfanylpentan-2-ol
CID 143010871
(E)-4-amino-1,1,1-trifluoro-3-(4-methylphenyl)sulfonylbut-3-en-2-ol
CID 9994635
N-(2-hydroxypropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43394354

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-ol?
The IUPAC name of 1-amino-3-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-ol (CID 115478202) is 1-amino-3-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-ol.
What is the SMILES notation for 1-amino-3-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-ol?
The canonical SMILES for 1-amino-3-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-ol is NCC(O)CS(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-amino-3-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-ol?
The InChIKey is CJNBLAIHTKEJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c11-10(12,13)7-2-1-3-9(4-7)17(16)6-8(15)5-14/h1-4,8,15H,5-6,14H2.
What are the key properties of 1-amino-3-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-ol?
1-amino-3-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-ol has a molecular weight of 267.27 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[3-(trifluoromethyl)phenyl]sulfinylpropan-2-ol is sourced from PubChem (CID 115478202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).