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

C7H11ClF3NOS — CID 58684166

IUPAC3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylpropan-1-amine
SMILESNCCCS(=O)C/C=C(\Cl)C(F)(F)F
InChIInChI=1S/C7H11ClF3NOS/c8-6(7(9,10)11)2-5-14(13)4-1-3-12/h2H,1,3-5,12H2/b6-2-
InChIKeyQMMLKURRIJZRMX-KXFIGUGUSA-N
MW249.68 g/mol
LogP1.77
Rot. Bonds5

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

3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylpropan-1-amine (PubChem CID 58684166) has the molecular formula C7H11ClF3NOS and a molecular weight of 249.68 g/mol. Its IUPAC name is 3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylpropan-1-amine.

Molecular Properties

Compound Name3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylpropan-1-amine
PubChem CID58684166
Molecular FormulaC7H11ClF3NOS
Molecular Weight249.68 g/mol
Exact Mass249.02
IUPAC Name3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylpropan-1-amine
SMILESNCCCS(=O)C/C=C(\Cl)C(F)(F)F
InChIInChI=1S/C7H11ClF3NOS/c8-6(7(9,10)11)2-5-14(13)4-1-3-12/h2H,1,3-5,12H2/b6-2-
InChIKeyQMMLKURRIJZRMX-KXFIGUGUSA-N
XLogP1.77
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.68
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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]sulfonylpropan-1-amine
CID 58684188
2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylethanamine
CID 58684409
2-[(E)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfanylethanamine
CID 58684878
3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfanylpropan-1-amine
CID 58684998
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
2-(3-Chloro-4,4,4-trifluorobut-2-enyl)sulfanylethanamine
CID 72391319
3-(3-Chloro-4,4,4-trifluorobut-2-enyl)sulfanylpropan-1-amine
CID 72391373
3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylpropan-1-amine;ethane
CID 142935927
2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfanylethanamine
CID 142935958
3-[(Z)-3-chlorobut-2-enyl]sulfinylpropan-1-amine
CID 58684343

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylpropan-1-amine?
The IUPAC name of 3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylpropan-1-amine (CID 58684166) is 3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylpropan-1-amine.
What is the SMILES notation for 3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylpropan-1-amine?
The canonical SMILES for 3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylpropan-1-amine is NCCCS(=O)C/C=C(\Cl)C(F)(F)F.
What is the InChIKey of 3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylpropan-1-amine?
The InChIKey is QMMLKURRIJZRMX-KXFIGUGUSA-N. The full InChI is InChI=1S/C7H11ClF3NOS/c8-6(7(9,10)11)2-5-14(13)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]sulfinylpropan-1-amine?
3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylpropan-1-amine has a molecular weight of 249.68 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylpropan-1-amine is sourced from PubChem (CID 58684166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).