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

C6H10F3NOS — CID 58684557

IUPAC2-(3,4,4-trifluorobut-3-enylsulfinyl)ethanamine
SMILESNCCS(=O)CCC(F)=C(F)F
InChIInChI=1S/C6H10F3NOS/c7-5(6(8)9)1-3-12(11)4-2-10/h1-4,10H2
InChIKeyCLHACGSGISWNSV-UHFFFAOYSA-N
MW201.21 g/mol
LogP1.16
Rot. Bonds5

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

2-(3,4,4-trifluorobut-3-enylsulfinyl)ethanamine (PubChem CID 58684557) has the molecular formula C6H10F3NOS and a molecular weight of 201.21 g/mol. Its IUPAC name is 2-(3,4,4-trifluorobut-3-enylsulfinyl)ethanamine.

Molecular Properties

Compound Name2-(3,4,4-trifluorobut-3-enylsulfinyl)ethanamine
PubChem CID58684557
Molecular FormulaC6H10F3NOS
Molecular Weight201.21 g/mol
Exact Mass201.04
IUPAC Name2-(3,4,4-trifluorobut-3-enylsulfinyl)ethanamine
SMILESNCCS(=O)CCC(F)=C(F)F
InChIInChI=1S/C6H10F3NOS/c7-5(6(8)9)1-3-12(11)4-2-10/h1-4,10H2
InChIKeyCLHACGSGISWNSV-UHFFFAOYSA-N
XLogP1.16
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.21
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,4,4-Trifluorobut-3-enylsulfonyl)ethanamine
CID 58684075
3-(3,3,3-Trifluoropropylsulfinyl)propan-1-amine
CID 58684096
3-(2,2,2-Trifluoroethylsulfinyl)propan-1-amine
CID 58684156
3-(2-Fluoroprop-2-enylsulfinyl)propan-1-amine
CID 58684458
3-(4,4,4-Trifluorobutylsulfinyl)propan-1-amine
CID 58684519
3-(3,4,4-Trifluorobut-3-enylsulfonyl)propan-1-amine
CID 58684554
3-(3,4,4-Trifluorobut-3-enylsulfinyl)propan-1-amine
CID 58684604
2-(4,4,4-Trifluorobutylsulfinyl)ethanamine
CID 58684777
3-(2,2-Difluoroethylsulfinyl)propan-1-amine
CID 58684917
2-(3,4,4-Trifluorobut-3-enylsulfanyl)ethanamine
CID 58684940
3-(3,4,4-Trifluorobut-3-enylsulfanyl)propan-1-amine
CID 58685089
2-(3,3,3-Trifluoropropylsulfinyl)ethanamine
CID 81176381

Frequently Asked Questions

What is the IUPAC name of 2-(3,4,4-trifluorobut-3-enylsulfinyl)ethanamine?
The IUPAC name of 2-(3,4,4-trifluorobut-3-enylsulfinyl)ethanamine (CID 58684557) is 2-(3,4,4-trifluorobut-3-enylsulfinyl)ethanamine.
What is the SMILES notation for 2-(3,4,4-trifluorobut-3-enylsulfinyl)ethanamine?
The canonical SMILES for 2-(3,4,4-trifluorobut-3-enylsulfinyl)ethanamine is NCCS(=O)CCC(F)=C(F)F.
What is the InChIKey of 2-(3,4,4-trifluorobut-3-enylsulfinyl)ethanamine?
The InChIKey is CLHACGSGISWNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NOS/c7-5(6(8)9)1-3-12(11)4-2-10/h1-4,10H2.
What are the key properties of 2-(3,4,4-trifluorobut-3-enylsulfinyl)ethanamine?
2-(3,4,4-trifluorobut-3-enylsulfinyl)ethanamine has a molecular weight of 201.21 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4,4-trifluorobut-3-enylsulfinyl)ethanamine is sourced from PubChem (CID 58684557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).