2-(4,4,4-trifluorobutylsulfinyl)ethanamine

C6H12F3NOS — CID 58684777

IUPAC2-(4,4,4-trifluorobutylsulfinyl)ethanamine
SMILESNCCS(=O)CCCC(F)(F)F
InChIInChI=1S/C6H12F3NOS/c7-6(8,9)2-1-4-12(11)5-3-10/h1-5,10H2
InChIKeyFJZAGEFIPNFXLG-UHFFFAOYSA-N
MW203.23 g/mol
LogP1.04
Rot. Bonds5

About 2-(4,4,4-trifluorobutylsulfinyl)ethanamine

2-(4,4,4-trifluorobutylsulfinyl)ethanamine (PubChem CID 58684777) has the molecular formula C6H12F3NOS and a molecular weight of 203.23 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutylsulfinyl)ethanamine
PubChem CID58684777
Molecular FormulaC6H12F3NOS
Molecular Weight203.23 g/mol
Exact Mass203.06
IUPAC Name2-(4,4,4-trifluorobutylsulfinyl)ethanamine
SMILESNCCS(=O)CCCC(F)(F)F
InChIInChI=1S/C6H12F3NOS/c7-6(8,9)2-1-4-12(11)5-3-10/h1-5,10H2
InChIKeyFJZAGEFIPNFXLG-UHFFFAOYSA-N
XLogP1.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-((3,3,3-Trifluoropropyl)sulfanyl)ethan-1-amine
CID 58684527
3-Trifluoromethanesulfonylpropan-1-amine hydrochloride
CID 155822804
2-(2-Aminoethanesulfinyl)-1,1,1-trifluoroethane hydrochloride
CID 122163914
3-Difluoromethanesulfonylpropan-1-amine hydrochloride
CID 155821813
3-Trifluoromethanesulfonylpropan-1-amine
CID 58111722
3-(2,2,2-Trifluoroethylsulfonyl)propan-1-amine
CID 58684065
3-(3,3,3-Trifluoropropylsulfinyl)propan-1-amine
CID 58684096
2-(2-Aminoethanesulfinyl)-1,1,1-trifluoroethane
CID 58684100
3-(3,3,3-Trifluoropropylsulfanyl)propan-1-amine
CID 58684114
3-(3-Fluoropropylsulfonyl)propan-1-amine
CID 58684153
3-(2,2,2-Trifluoroethylsulfinyl)propan-1-amine
CID 58684156
3-(4,4,4-Trifluorobutylsulfanyl)propan-1-amine
CID 58684226

Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutylsulfinyl)ethanamine?
The IUPAC name of 2-(4,4,4-trifluorobutylsulfinyl)ethanamine (CID 58684777) is 2-(4,4,4-trifluorobutylsulfinyl)ethanamine.
What is the SMILES notation for 2-(4,4,4-trifluorobutylsulfinyl)ethanamine?
The canonical SMILES for 2-(4,4,4-trifluorobutylsulfinyl)ethanamine is NCCS(=O)CCCC(F)(F)F.
What is the InChIKey of 2-(4,4,4-trifluorobutylsulfinyl)ethanamine?
The InChIKey is FJZAGEFIPNFXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NOS/c7-6(8,9)2-1-4-12(11)5-3-10/h1-5,10H2.
What are the key properties of 2-(4,4,4-trifluorobutylsulfinyl)ethanamine?
2-(4,4,4-trifluorobutylsulfinyl)ethanamine has a molecular weight of 203.23 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutylsulfinyl)ethanamine is sourced from PubChem (CID 58684777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).