2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate

C3F6NO3S- — CID 59386224

IUPAC2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate
SMILESO=S(=O)(N=C([O-])C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF6NO3S/c4-2(5,6)1(11)10-14(12,13)3(7,8)9/h(H,10,11)/p-1
InChIKeyCFYBHDCZEADVJH-UHFFFAOYSA-M
MW244.09 g/mol
LogP0.16
Rot. Bonds1

About 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate

2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate (PubChem CID 59386224) has the molecular formula C3F6NO3S- and a molecular weight of 244.09 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate
PubChem CID59386224
Molecular FormulaC3F6NO3S-
Molecular Weight244.09 g/mol
Exact Mass243.95
IUPAC Name2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate
SMILESO=S(=O)(N=C([O-])C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF6NO3S/c4-2(5,6)1(11)10-14(12,13)3(7,8)9/h(H,10,11)/p-1
InChIKeyCFYBHDCZEADVJH-UHFFFAOYSA-M
XLogP0.16
TPSA69.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate
CID 155621283
(1E)-N-(trifluoromethylsulfonyl)ethanimidate
CID 20807114
2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate;trimethyl(oxiran-2-ylmethyl)azanium
CID 173032743
(1Z)-3,5-dichloro-N-(trifluoromethylsulfonyl)benzenecarboximidate
CID 155621507
(Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate
CID 155621363
(1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate
CID 155621339
(1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate
CID 155621370
(1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate
CID 155621360
(1Z)-N-(trifluoromethylsulfonyl)undecanimidate
CID 155621357
(1Z)-2,4,6-trifluoro-N-(trifluoromethylsulfonyl)benzenecarboximidate
CID 155621251
methyl N'-(trifluoromethylsulfonyl)carbamimidate
CID 22864859
(2Z)-N-(trifluoromethylsulfonyl)furan-2-carboximidate
CID 155621509

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate?
The IUPAC name of 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate (CID 59386224) is 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate.
What is the SMILES notation for 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate?
The canonical SMILES for 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate is O=S(=O)(N=C([O-])C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate?
The InChIKey is CFYBHDCZEADVJH-UHFFFAOYSA-M. The full InChI is InChI=1S/C3HF6NO3S/c4-2(5,6)1(11)10-14(12,13)3(7,8)9/h(H,10,11)/p-1.
What are the key properties of 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate?
2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate has a molecular weight of 244.09 g/mol, XLogP of 0.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate is sourced from PubChem (CID 59386224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).