methyl(2,2,2-trifluoroethylsulfonyl)azanide

C3H5F3NO2S- — CID 59280663

IUPACmethyl(2,2,2-trifluoroethylsulfonyl)azanide
SMILESC[N-]S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C3H5F3NO2S/c1-7-10(8,9)2-3(4,5)6/h2H2,1H3/q-1
InChIKeyPFMHKBWGJSSQNI-UHFFFAOYSA-N
MW176.14 g/mol
LogP0.88
Rot. Bonds2

About methyl(2,2,2-trifluoroethylsulfonyl)azanide

methyl(2,2,2-trifluoroethylsulfonyl)azanide (PubChem CID 59280663) has the molecular formula C3H5F3NO2S- and a molecular weight of 176.14 g/mol. Its IUPAC name is methyl(2,2,2-trifluoroethylsulfonyl)azanide.

Molecular Properties

Compound Namemethyl(2,2,2-trifluoroethylsulfonyl)azanide
PubChem CID59280663
Molecular FormulaC3H5F3NO2S-
Molecular Weight176.14 g/mol
Exact Mass176.00
IUPAC Namemethyl(2,2,2-trifluoroethylsulfonyl)azanide
SMILESC[N-]S(=O)(=O)CC(F)(F)F
InChIInChI=1S/C3H5F3NO2S/c1-7-10(8,9)2-3(4,5)6/h2H2,1H3/q-1
InChIKeyPFMHKBWGJSSQNI-UHFFFAOYSA-N
XLogP0.88
TPSA48.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.14
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

fluoromethylsulfonyl(methyl)azanide
CID 58420842
2,3-bis(2,2,2-trifluoroethylsulfonyl)butane
CID 158437454
2,2,2-trifluoroethanesulfonyl fluoride
CID 12929868
2,2,2-trifluoroethanesulfonyl iodide
CID 147408811
2,2,2-trifluoroethanesulfonic acid;hydrochloride
CID 88652100
bis(2,2,2-trifluoroethylsulfonyl)azanide;1-butyl-3-methylimidazol-3-ium
CID 22061689
1,1,1,3,3,3-hexafluoro-2-(2,2,2-trifluoroethylsulfonyl)-2-(trifluoromethyl)propane
CID 87154616
1-(2,2,2-trifluoroethylsulfonyl)ethanesulfonamide
CID 151114367
ethanesulfonyl chloride;2,2,2-trifluoroethanesulfonic acid
CID 162214808
1-(2,2,2-trifluoroethylsulfonyl)butane
CID 13096090
methanidyl(2,2,2-trifluoroethylsulfonyl)azanium
CID 59280662
ethane-1,2-diol;bis(2,2,2-trifluoroethanesulfonic acid)
CID 87292403

Frequently Asked Questions

What is the IUPAC name of methyl(2,2,2-trifluoroethylsulfonyl)azanide?
The IUPAC name of methyl(2,2,2-trifluoroethylsulfonyl)azanide (CID 59280663) is methyl(2,2,2-trifluoroethylsulfonyl)azanide.
What is the SMILES notation for methyl(2,2,2-trifluoroethylsulfonyl)azanide?
The canonical SMILES for methyl(2,2,2-trifluoroethylsulfonyl)azanide is C[N-]S(=O)(=O)CC(F)(F)F.
What is the InChIKey of methyl(2,2,2-trifluoroethylsulfonyl)azanide?
The InChIKey is PFMHKBWGJSSQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5F3NO2S/c1-7-10(8,9)2-3(4,5)6/h2H2,1H3/q-1.
What are the key properties of methyl(2,2,2-trifluoroethylsulfonyl)azanide?
methyl(2,2,2-trifluoroethylsulfonyl)azanide has a molecular weight of 176.14 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl(2,2,2-trifluoroethylsulfonyl)azanide is sourced from PubChem (CID 59280663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).