(1Z)-2,4,6-trifluoro-N-(trifluoromethylsulfonyl)benzenecarboximidate

C8H2F6NO3S- — CID 155621251

IUPAC(1Z)-2,4,6-trifluoro-N-(trifluoromethylsulfonyl)benzenecarboximidate
SMILESO=S(=O)(/N=C(\[O-])c1c(F)cc(F)cc1F)C(F)(F)F
InChIInChI=1S/C8H3F6NO3S/c9-3-1-4(10)6(5(11)2-3)7(16)15-19(17,18)8(12,13)14/h1-2H,(H,15,16)/p-1
InChIKeyOZYUXRFXDQOFSZ-UHFFFAOYSA-M
MW306.16 g/mol
LogP1.06
Rot. Bonds2

About (1Z)-2,4,6-trifluoro-N-(trifluoromethylsulfonyl)benzenecarboximidate

(1Z)-2,4,6-trifluoro-N-(trifluoromethylsulfonyl)benzenecarboximidate (PubChem CID 155621251) has the molecular formula C8H2F6NO3S- and a molecular weight of 306.16 g/mol. Its IUPAC name is (1Z)-2,4,6-trifluoro-N-(trifluoromethylsulfonyl)benzenecarboximidate.

Molecular Properties

Compound Name(1Z)-2,4,6-trifluoro-N-(trifluoromethylsulfonyl)benzenecarboximidate
PubChem CID155621251
Molecular FormulaC8H2F6NO3S-
Molecular Weight306.16 g/mol
Exact Mass305.97
IUPAC Name(1Z)-2,4,6-trifluoro-N-(trifluoromethylsulfonyl)benzenecarboximidate
SMILESO=S(=O)(/N=C(\[O-])c1c(F)cc(F)cc1F)C(F)(F)F
InChIInChI=1S/C8H3F6NO3S/c9-3-1-4(10)6(5(11)2-3)7(16)15-19(17,18)8(12,13)14/h1-2H,(H,15,16)/p-1
InChIKeyOZYUXRFXDQOFSZ-UHFFFAOYSA-M
XLogP1.06
TPSA69.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.16
LogP ≤ 51.06
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)-3,5-dichloro-N-(trifluoromethylsulfonyl)benzenecarboximidate
CID 155621507
2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate
CID 59386224
(1E)-N-(trifluoromethylsulfonyl)ethanimidate
CID 20807114
(2,4,6-trifluorophenyl) trifluoromethanesulfonate
CID 87155117
1,1,1-trifluoro-N-(2,4,6-trifluorophenyl)methanesulfonamide
CID 5314630
(1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate
CID 155621283
2,6-difluoro-4-methylbenzoate
CID 86307703
3-methylsulfonyl-1-(2,4,6-trifluorophenyl)propan-1-one
CID 114969576
(6,8-difluoro-3,4-dihydronaphthalen-1-yl) trifluoromethanesulfonate
CID 156859213
2-ethanehydrazonoyl-3,5-difluorophenol
CID 137265692
(NE,S)-2-methyl-N-[1-(2,4,6-trifluorophenyl)ethylidene]propane-2-sulfinamide
CID 51063977
sodium (1Z)-N-[(E)-2-(2,4-difluorophenyl)ethenyl]sulfonyl-2,4-bis(trifluoromethyl)benzenecarboximidate
CID 23667770

Frequently Asked Questions

What is the IUPAC name of (1Z)-2,4,6-trifluoro-N-(trifluoromethylsulfonyl)benzenecarboximidate?
The IUPAC name of (1Z)-2,4,6-trifluoro-N-(trifluoromethylsulfonyl)benzenecarboximidate (CID 155621251) is (1Z)-2,4,6-trifluoro-N-(trifluoromethylsulfonyl)benzenecarboximidate.
What is the SMILES notation for (1Z)-2,4,6-trifluoro-N-(trifluoromethylsulfonyl)benzenecarboximidate?
The canonical SMILES for (1Z)-2,4,6-trifluoro-N-(trifluoromethylsulfonyl)benzenecarboximidate is O=S(=O)(/N=C(\[O-])c1c(F)cc(F)cc1F)C(F)(F)F.
What is the InChIKey of (1Z)-2,4,6-trifluoro-N-(trifluoromethylsulfonyl)benzenecarboximidate?
The InChIKey is OZYUXRFXDQOFSZ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H3F6NO3S/c9-3-1-4(10)6(5(11)2-3)7(16)15-19(17,18)8(12,13)14/h1-2H,(H,15,16)/p-1.
What are the key properties of (1Z)-2,4,6-trifluoro-N-(trifluoromethylsulfonyl)benzenecarboximidate?
(1Z)-2,4,6-trifluoro-N-(trifluoromethylsulfonyl)benzenecarboximidate has a molecular weight of 306.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2,4,6-trifluoro-N-(trifluoromethylsulfonyl)benzenecarboximidate is sourced from PubChem (CID 155621251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).