2-(3,4,4-trifluorobut-3-enylsulfonyl)ethanamine

C6H10F3NO2S — CID 58684075

IUPAC2-(3,4,4-trifluorobut-3-enylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CCC(F)=C(F)F
InChIInChI=1S/C6H10F3NO2S/c7-5(6(8)9)1-3-13(11,12)4-2-10/h1-4,10H2
InChIKeyZCAIDAIVYQDRNR-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.83
Rot. Bonds5

About 2-(3,4,4-trifluorobut-3-enylsulfonyl)ethanamine

2-(3,4,4-trifluorobut-3-enylsulfonyl)ethanamine (PubChem CID 58684075) has the molecular formula C6H10F3NO2S and a molecular weight of 217.21 g/mol. Its IUPAC name is 2-(3,4,4-trifluorobut-3-enylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(3,4,4-trifluorobut-3-enylsulfonyl)ethanamine
PubChem CID58684075
Molecular FormulaC6H10F3NO2S
Molecular Weight217.21 g/mol
Exact Mass217.04
IUPAC Name2-(3,4,4-trifluorobut-3-enylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CCC(F)=C(F)F
InChIInChI=1S/C6H10F3NO2S/c7-5(6(8)9)1-3-13(11,12)4-2-10/h1-4,10H2
InChIKeyZCAIDAIVYQDRNR-UHFFFAOYSA-N
XLogP0.83
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.83
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
3-(3,4,4-Trifluorobut-3-enylsulfonyl)propan-1-amine
CID 58684554
2-(3,4,4-Trifluorobut-3-enylsulfinyl)ethanamine
CID 58684557
2-(2,2-Difluoroethylsulfonyl)ethanamine
CID 58684575

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4-trifluorobut-3-enylsulfonyl)ethanamine?
The IUPAC name of 2-(3,4,4-trifluorobut-3-enylsulfonyl)ethanamine (CID 58684075) is 2-(3,4,4-trifluorobut-3-enylsulfonyl)ethanamine.
What is the SMILES notation for 2-(3,4,4-trifluorobut-3-enylsulfonyl)ethanamine?
The canonical SMILES for 2-(3,4,4-trifluorobut-3-enylsulfonyl)ethanamine is NCCS(=O)(=O)CCC(F)=C(F)F.
What is the InChIKey of 2-(3,4,4-trifluorobut-3-enylsulfonyl)ethanamine?
The InChIKey is ZCAIDAIVYQDRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO2S/c7-5(6(8)9)1-3-13(11,12)4-2-10/h1-4,10H2.
What are the key properties of 2-(3,4,4-trifluorobut-3-enylsulfonyl)ethanamine?
2-(3,4,4-trifluorobut-3-enylsulfonyl)ethanamine has a molecular weight of 217.21 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4-trifluorobut-3-enylsulfonyl)ethanamine is sourced from PubChem (CID 58684075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).