2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylethanamine

C6H9ClF3NOS — CID 58684409

IUPAC2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylethanamine
SMILESNCCS(=O)C/C=C(\Cl)C(F)(F)F
InChIInChI=1S/C6H9ClF3NOS/c7-5(6(8,9)10)1-3-13(12)4-2-11/h1H,2-4,11H2/b5-1-
InChIKeySAAVIMPSRFYILT-KTAJNNJTSA-N
MW235.66 g/mol
LogP1.38
Rot. Bonds4

About 2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylethanamine

2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylethanamine (PubChem CID 58684409) has the molecular formula C6H9ClF3NOS and a molecular weight of 235.66 g/mol. Its IUPAC name is 2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylethanamine.

Molecular Properties

Compound Name2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylethanamine
PubChem CID58684409
Molecular FormulaC6H9ClF3NOS
Molecular Weight235.66 g/mol
Exact Mass235.00
IUPAC Name2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylethanamine
SMILESNCCS(=O)C/C=C(\Cl)C(F)(F)F
InChIInChI=1S/C6H9ClF3NOS/c7-5(6(8,9)10)1-3-13(12)4-2-11/h1H,2-4,11H2/b5-1-
InChIKeySAAVIMPSRFYILT-KTAJNNJTSA-N
XLogP1.38
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.66
LogP ≤ 51.38
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]sulfinylpropan-1-amine
CID 58684166
3-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfonylpropan-1-amine
CID 58684188
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
2-[(Z)-3-chlorobut-2-enyl]sulfinylethanamine
CID 58684910

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylethanamine?
The IUPAC name of 2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylethanamine (CID 58684409) is 2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylethanamine.
What is the SMILES notation for 2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylethanamine?
The canonical SMILES for 2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylethanamine is NCCS(=O)C/C=C(\Cl)C(F)(F)F.
What is the InChIKey of 2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylethanamine?
The InChIKey is SAAVIMPSRFYILT-KTAJNNJTSA-N. The full InChI is InChI=1S/C6H9ClF3NOS/c7-5(6(8,9)10)1-3-13(12)4-2-11/h1H,2-4,11H2/b5-1-.
What are the key properties of 2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylethanamine?
2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylethanamine has a molecular weight of 235.66 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-chloro-4,4,4-trifluorobut-2-enyl]sulfinylethanamine is sourced from PubChem (CID 58684409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).