(1Z)-N-chlorosulfonyl-2,2,2-trifluoroethanimidoyl chloride

C2Cl2F3NO2S — CID 55279207

IUPAC(1Z)-N-chlorosulfonyl-2,2,2-trifluoroethanimidoyl chloride
SMILESO=S(=O)(Cl)/N=C(\Cl)C(F)(F)F
InChIInChI=1S/C2Cl2F3NO2S/c3-1(2(5,6)7)8-11(4,9)10/b8-1-
InChIKeyWVDOANJONQLBET-QPIMQUGISA-N
MW229.99 g/mol
LogP1.67
Rot. Bonds1

About (1Z)-N-chlorosulfonyl-2,2,2-trifluoroethanimidoyl chloride

(1Z)-N-chlorosulfonyl-2,2,2-trifluoroethanimidoyl chloride (PubChem CID 55279207) has the molecular formula C2Cl2F3NO2S and a molecular weight of 229.99 g/mol. Its IUPAC name is (1Z)-N-chlorosulfonyl-2,2,2-trifluoroethanimidoyl chloride.

Molecular Properties

Compound Name(1Z)-N-chlorosulfonyl-2,2,2-trifluoroethanimidoyl chloride
PubChem CID55279207
Molecular FormulaC2Cl2F3NO2S
Molecular Weight229.99 g/mol
Exact Mass228.90
IUPAC Name(1Z)-N-chlorosulfonyl-2,2,2-trifluoroethanimidoyl chloride
SMILESO=S(=O)(Cl)/N=C(\Cl)C(F)(F)F
InChIInChI=1S/C2Cl2F3NO2S/c3-1(2(5,6)7)8-11(4,9)10/b8-1-
InChIKeyWVDOANJONQLBET-QPIMQUGISA-N
XLogP1.67
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.99
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

azane;trifluoromethanesulfonyl chloride
CID 87630754
(1-chloro-2,2,2-trifluoroethylidene)carbamic acid
CID 162039277
1,1-difluoro-2-hydroxyethanesulfonyl chloride
CID 58288757
trifluoromethylsulfonylazanide
CID 18339154
trifluoro(methanidylsulfonyl)methane
CID 22078458
chlorosulfonylsulfonyl(trifluoro)methane
CID 134337537
3-amino-5,5,5-trifluoro-4-oxopentane-1-sulfonyl chloride
CID 88792204
1,1,3,3,3-pentafluoro-2-oxopropane-1-sulfonyl chloride
CID 12559151
methanesulfonyl chloride;trifluoromethanesulfonic acid
CID 174263970
1-[(2,2,2-trifluoroacetyl)amino]propane-2-sulfonyl chloride
CID 84707964
1,2-difluoropropane;trifluoromethanesulfonyl chloride
CID 87990471
2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate
CID 59386224

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-chlorosulfonyl-2,2,2-trifluoroethanimidoyl chloride?
The IUPAC name of (1Z)-N-chlorosulfonyl-2,2,2-trifluoroethanimidoyl chloride (CID 55279207) is (1Z)-N-chlorosulfonyl-2,2,2-trifluoroethanimidoyl chloride.
What is the SMILES notation for (1Z)-N-chlorosulfonyl-2,2,2-trifluoroethanimidoyl chloride?
The canonical SMILES for (1Z)-N-chlorosulfonyl-2,2,2-trifluoroethanimidoyl chloride is O=S(=O)(Cl)/N=C(\Cl)C(F)(F)F.
What is the InChIKey of (1Z)-N-chlorosulfonyl-2,2,2-trifluoroethanimidoyl chloride?
The InChIKey is WVDOANJONQLBET-QPIMQUGISA-N. The full InChI is InChI=1S/C2Cl2F3NO2S/c3-1(2(5,6)7)8-11(4,9)10/b8-1-.
What are the key properties of (1Z)-N-chlorosulfonyl-2,2,2-trifluoroethanimidoyl chloride?
(1Z)-N-chlorosulfonyl-2,2,2-trifluoroethanimidoyl chloride has a molecular weight of 229.99 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-chlorosulfonyl-2,2,2-trifluoroethanimidoyl chloride is sourced from PubChem (CID 55279207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).