azane;trifluoromethanesulfonyl chloride

CH3ClF3NO2S — CID 87630754

IUPACazane;trifluoromethanesulfonyl chloride
SMILESN.O=S(=O)(Cl)C(F)(F)F
InChIInChI=1S/CClF3O2S.H3N/c2-8(6,7)1(3,4)5;/h;1H3
InChIKeyGTPMHIREJOCSLL-UHFFFAOYSA-N
MW185.55 g/mol
LogP1.24
Rot. Bonds

About azane;trifluoromethanesulfonyl chloride

azane;trifluoromethanesulfonyl chloride (PubChem CID 87630754) has the molecular formula CH3ClF3NO2S and a molecular weight of 185.55 g/mol. Its IUPAC name is azane;trifluoromethanesulfonyl chloride.

Molecular Properties

Compound Nameazane;trifluoromethanesulfonyl chloride
PubChem CID87630754
Molecular FormulaCH3ClF3NO2S
Molecular Weight185.55 g/mol
Exact Mass184.95
IUPAC Nameazane;trifluoromethanesulfonyl chloride
SMILESN.O=S(=O)(Cl)C(F)(F)F
InChIInChI=1S/CClF3O2S.H3N/c2-8(6,7)1(3,4)5;/h;1H3
InChIKeyGTPMHIREJOCSLL-UHFFFAOYSA-N
XLogP1.24
TPSA69.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.55
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;trifluoromethanesulfonyl chloride?
The IUPAC name of azane;trifluoromethanesulfonyl chloride (CID 87630754) is azane;trifluoromethanesulfonyl chloride.
What is the SMILES notation for azane;trifluoromethanesulfonyl chloride?
The canonical SMILES for azane;trifluoromethanesulfonyl chloride is N.O=S(=O)(Cl)C(F)(F)F.
What is the InChIKey of azane;trifluoromethanesulfonyl chloride?
The InChIKey is GTPMHIREJOCSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/CClF3O2S.H3N/c2-8(6,7)1(3,4)5;/h;1H3.
What are the key properties of azane;trifluoromethanesulfonyl chloride?
azane;trifluoromethanesulfonyl chloride has a molecular weight of 185.55 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;trifluoromethanesulfonyl chloride is sourced from PubChem (CID 87630754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).