3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylpropan-1-amine

C7H11ClF3NO2S — CID 58684188

IUPAC3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)C/C=C(\Cl)C(F)(F)F
InChIInChI=1S/C7H11ClF3NO2S/c8-6(7(9,10)11)2-5-15(13,14)4-1-3-12/h2H,1,3-5,12H2/b6-2-
InChIKeyXINFIIRZJXLPFC-KXFIGUGUSA-N
MW265.68 g/mol
LogP1.43
Rot. Bonds5

About 3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylpropan-1-amine

3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylpropan-1-amine (PubChem CID 58684188) has the molecular formula C7H11ClF3NO2S and a molecular weight of 265.68 g/mol. Its IUPAC name is 3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylpropan-1-amine.

Molecular Properties

Compound Name3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylpropan-1-amine
PubChem CID58684188
Molecular FormulaC7H11ClF3NO2S
Molecular Weight265.68 g/mol
Exact Mass265.02
IUPAC Name3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylpropan-1-amine
SMILESNCCCS(=O)(=O)C/C=C(\Cl)C(F)(F)F
InChIInChI=1S/C7H11ClF3NO2S/c8-6(7(9,10)11)2-5-15(13,14)4-1-3-12/h2H,1,3-5,12H2/b6-2-
InChIKeyXINFIIRZJXLPFC-KXFIGUGUSA-N
XLogP1.43
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.68
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylethanamine
CID 58684018
3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylpropan-1-amine
CID 58684166
2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylethanamine
CID 58684409
2-(3-Chloro-4,4,4-trifluorobut-2-enyl)sulfonylethanamine
CID 72390897
3-(3-Chloro-4,4,4-trifluorobut-2-enyl)sulfonylpropan-1-amine
CID 72390981
3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylpropan-1-amine;ethane
CID 142935927
3-(3,3-Dichloroprop-2-enylsulfonyl)propan-1-amine
CID 58684063
3-[(Z)-3-chlorobut-2-enyl]sulfonylpropan-1-amine
CID 58684384
2-[(Z)-3-chlorobut-2-enyl]sulfonylethanamine
CID 58684824
3-(3-Chlorobut-2-enylsulfonyl)propan-1-amine
CID 72391075
2-(3-Chlorobut-2-enylsulfonyl)ethanamine
CID 72391299

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylpropan-1-amine?
The IUPAC name of 3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylpropan-1-amine (CID 58684188) is 3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylpropan-1-amine.
What is the SMILES notation for 3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylpropan-1-amine?
The canonical SMILES for 3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylpropan-1-amine is NCCCS(=O)(=O)C/C=C(\Cl)C(F)(F)F.
What is the InChIKey of 3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylpropan-1-amine?
The InChIKey is XINFIIRZJXLPFC-KXFIGUGUSA-N. The full InChI is InChI=1S/C7H11ClF3NO2S/c8-6(7(9,10)11)2-5-15(13,14)4-1-3-12/h2H,1,3-5,12H2/b6-2-.
What are the key properties of 3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylpropan-1-amine?
3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylpropan-1-amine has a molecular weight of 265.68 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylpropan-1-amine is sourced from PubChem (CID 58684188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).