3,3,3-trifluoro-2-(methylsulfonylmethyl)propan-1-amine

C5H10F3NO2S — CID 103372544

IUPAC3,3,3-trifluoro-2-(methylsulfonylmethyl)propan-1-amine
SMILESCS(=O)(=O)CC(CN)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-12(10,11)3-4(2-9)5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyXIRVUEAGSPGLLC-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.17
Rot. Bonds3

About 3,3,3-trifluoro-2-(methylsulfonylmethyl)propan-1-amine

3,3,3-trifluoro-2-(methylsulfonylmethyl)propan-1-amine (PubChem CID 103372544) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-(methylsulfonylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-2-(methylsulfonylmethyl)propan-1-amine
PubChem CID103372544
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC Name3,3,3-trifluoro-2-(methylsulfonylmethyl)propan-1-amine
SMILESCS(=O)(=O)CC(CN)C(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c1-12(10,11)3-4(2-9)5(6,7)8/h4H,2-3,9H2,1H3
InChIKeyXIRVUEAGSPGLLC-UHFFFAOYSA-N
XLogP0.17
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Trifluoromethanesulfonylpropan-1-amine hydrochloride
CID 155822804
3-Difluoromethanesulfonylpropan-1-amine hydrochloride
CID 155821813
3-Trifluoromethanesulfonylpropan-1-amine
CID 58111722
3-(2,2,2-Trifluoroethylsulfonyl)propan-1-amine
CID 58684065
3-(3-Fluoropropylsulfonyl)propan-1-amine
CID 58684153
2-(4,4,4-Trifluorobutylsulfonyl)ethanamine
CID 58684282
2-(4-Fluorobutylsulfonyl)ethanamine
CID 58684295
3-(2-Fluoroethylsulfonyl)propan-1-amine
CID 58684365
3-(4,4,4-Trifluorobutylsulfonyl)propan-1-amine
CID 58684401
2-(2,2-Difluoroethylsulfonyl)ethanamine
CID 58684575
3-(2,2-Difluoroethylsulfonyl)propan-1-amine
CID 58684666
2-(3,3,3-Trifluoropropylsulfonyl)ethanamine
CID 58684689

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-(methylsulfonylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-2-(methylsulfonylmethyl)propan-1-amine (CID 103372544) is 3,3,3-trifluoro-2-(methylsulfonylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-2-(methylsulfonylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-2-(methylsulfonylmethyl)propan-1-amine is CS(=O)(=O)CC(CN)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-(methylsulfonylmethyl)propan-1-amine?
The InChIKey is XIRVUEAGSPGLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c1-12(10,11)3-4(2-9)5(6,7)8/h4H,2-3,9H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-(methylsulfonylmethyl)propan-1-amine?
3,3,3-trifluoro-2-(methylsulfonylmethyl)propan-1-amine has a molecular weight of 205.20 g/mol, XLogP of 0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-(methylsulfonylmethyl)propan-1-amine is sourced from PubChem (CID 103372544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).