3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine

C10H12F3NO2S — CID 69095866

IUPAC3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c11-10(12,13)8-4-1-2-5-9(8)17(15,16)7-3-6-14/h1-2,4-5H,3,6-7,14H2
InChIKeyLODOMQSGCSKMIZ-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.83
Rot. Bonds4

About 3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine

3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine (PubChem CID 69095866) has the molecular formula C10H12F3NO2S and a molecular weight of 267.27 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine
PubChem CID69095866
Molecular FormulaC10H12F3NO2S
Molecular Weight267.27 g/mol
Exact Mass267.05
IUPAC Name3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C10H12F3NO2S/c11-10(12,13)8-4-1-2-5-9(8)17(15,16)7-3-6-14/h1-2,4-5H,3,6-7,14H2
InChIKeyLODOMQSGCSKMIZ-UHFFFAOYSA-N
XLogP1.83
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine?
The IUPAC name of 3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine (CID 69095866) is 3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine?
The canonical SMILES for 3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine is NCCCS(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of 3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine?
The InChIKey is LODOMQSGCSKMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3NO2S/c11-10(12,13)8-4-1-2-5-9(8)17(15,16)7-3-6-14/h1-2,4-5H,3,6-7,14H2.
What are the key properties of 3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine?
3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine has a molecular weight of 267.27 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)phenyl]sulfonylpropan-1-amine is sourced from PubChem (CID 69095866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).