(2Z)-N-(trifluoromethylsulfonyl)furan-2-carboximidate

C6H3F3NO4S- — CID 155621509

IUPAC(2Z)-N-(trifluoromethylsulfonyl)furan-2-carboximidate
SMILESO=S(=O)(/N=C(\[O-])c1ccco1)C(F)(F)F
InChIInChI=1S/C6H4F3NO4S/c7-6(8,9)15(12,13)10-5(11)4-2-1-3-14-4/h1-3H,(H,10,11)/p-1
InChIKeySFLVFPGYJDXGES-UHFFFAOYSA-M
MW242.15 g/mol
LogP0.24
Rot. Bonds2

About (2Z)-N-(trifluoromethylsulfonyl)furan-2-carboximidate

(2Z)-N-(trifluoromethylsulfonyl)furan-2-carboximidate (PubChem CID 155621509) has the molecular formula C6H3F3NO4S- and a molecular weight of 242.15 g/mol. Its IUPAC name is (2Z)-N-(trifluoromethylsulfonyl)furan-2-carboximidate.

Molecular Properties

Compound Name(2Z)-N-(trifluoromethylsulfonyl)furan-2-carboximidate
PubChem CID155621509
Molecular FormulaC6H3F3NO4S-
Molecular Weight242.15 g/mol
Exact Mass241.97
IUPAC Name(2Z)-N-(trifluoromethylsulfonyl)furan-2-carboximidate
SMILESO=S(=O)(/N=C(\[O-])c1ccco1)C(F)(F)F
InChIInChI=1S/C6H4F3NO4S/c7-6(8,9)15(12,13)10-5(11)4-2-1-3-14-4/h1-3H,(H,10,11)/p-1
InChIKeySFLVFPGYJDXGES-UHFFFAOYSA-M
XLogP0.24
TPSA82.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.15
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

cesium furan-2-carboxylate
CID 140900702
sodium furan-2-carboxylate
CID 19205589
chromium(3+);tris(furan-2-carboxylate)
CID 158568014
calcium;bis(furan-2-carboxylate);hydrate
CID 160535503
(1Z)-3,5-dichloro-N-(trifluoromethylsulfonyl)benzenecarboximidate
CID 155621507
2-fluoro-1-(furan-2-yl)-2-methylpropan-1-one
CID 130561931
(NZ)-N-[2,2,2-trifluoro-1-(furan-2-yl)ethylidene]hydroxylamine
CID 11298289
furan-2-yl(phosphanyl)methanone
CID 151549332
1-(furan-2-yl)-2-[4-(trifluoromethyl)phenyl]sulfonylethanone
CID 106584717
N'-[3-(trifluoromethyl)phenyl]sulfonylfuran-2-carbohydrazide
CID 8616858
ruthenium(3+);tris(4,4,4-trifluoro-1-(furan-2-yl)butane-1,3-dione)
CID 11979475
gold(1+);trifluoromethanesulfonate;tris(furan-2-yl)phosphane
CID 66572930

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-(trifluoromethylsulfonyl)furan-2-carboximidate?
The IUPAC name of (2Z)-N-(trifluoromethylsulfonyl)furan-2-carboximidate (CID 155621509) is (2Z)-N-(trifluoromethylsulfonyl)furan-2-carboximidate.
What is the SMILES notation for (2Z)-N-(trifluoromethylsulfonyl)furan-2-carboximidate?
The canonical SMILES for (2Z)-N-(trifluoromethylsulfonyl)furan-2-carboximidate is O=S(=O)(/N=C(\[O-])c1ccco1)C(F)(F)F.
What is the InChIKey of (2Z)-N-(trifluoromethylsulfonyl)furan-2-carboximidate?
The InChIKey is SFLVFPGYJDXGES-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H4F3NO4S/c7-6(8,9)15(12,13)10-5(11)4-2-1-3-14-4/h1-3H,(H,10,11)/p-1.
What are the key properties of (2Z)-N-(trifluoromethylsulfonyl)furan-2-carboximidate?
(2Z)-N-(trifluoromethylsulfonyl)furan-2-carboximidate has a molecular weight of 242.15 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-(trifluoromethylsulfonyl)furan-2-carboximidate is sourced from PubChem (CID 155621509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).