(1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate

C6H9F3NO3S- — CID 155621283

IUPAC(1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate
SMILESCC(C)(C)/C([O-])=N/S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c1-5(2,3)4(11)10-14(12,13)6(7,8)9/h1-3H3,(H,10,11)/p-1
InChIKeyFIZVBNPNSQRBKL-UHFFFAOYSA-M
MW232.20 g/mol
LogP0.64
Rot. Bonds1

About (1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate

(1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate (PubChem CID 155621283) has the molecular formula C6H9F3NO3S- and a molecular weight of 232.20 g/mol. Its IUPAC name is (1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate.

Molecular Properties

Compound Name(1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate
PubChem CID155621283
Molecular FormulaC6H9F3NO3S-
Molecular Weight232.20 g/mol
Exact Mass232.03
IUPAC Name(1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate
SMILESCC(C)(C)/C([O-])=N/S(=O)(=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO3S/c1-5(2,3)4(11)10-14(12,13)6(7,8)9/h1-3H3,(H,10,11)/p-1
InChIKeyFIZVBNPNSQRBKL-UHFFFAOYSA-M
XLogP0.64
TPSA69.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.64
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

2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate
CID 59386224
(1E)-N-(trifluoromethylsulfonyl)ethanimidate
CID 20807114
(1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate
CID 155621370
2,2,2-trifluoro-N-(trifluoromethylsulfonyl)ethanimidate;trimethyl(oxiran-2-ylmethyl)azanium
CID 173032743
(1Z)-N-(trifluoromethylsulfonyl)undecanimidate
CID 155621357
methyl N'-(trifluoromethylsulfonyl)carbamimidate
CID 22864859
(1Z)-N-(trifluoromethylsulfonyl)pent-4-enimidate
CID 155621339
(Z)-N-(trifluoromethylsulfonyl)cyclododecanecarboximidate
CID 155621363
(1Z)-2,2,3,3,4,4,4-heptafluoro-N-methylsulfonylbutanimidate
CID 140705470
(1Z)-3,5-dichloro-N-(trifluoromethylsulfonyl)benzenecarboximidate
CID 155621507
(1Z)-4-amino-N-(trifluoromethylsulfonyl)benzenecarboximidate
CID 155621360
(1Z)-2,4,6-trifluoro-N-(trifluoromethylsulfonyl)benzenecarboximidate
CID 155621251

Frequently Asked Questions

What is the IUPAC name of (1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate?
The IUPAC name of (1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate (CID 155621283) is (1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate.
What is the SMILES notation for (1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate?
The canonical SMILES for (1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate is CC(C)(C)/C([O-])=N/S(=O)(=O)C(F)(F)F.
What is the InChIKey of (1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate?
The InChIKey is FIZVBNPNSQRBKL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H10F3NO3S/c1-5(2,3)4(11)10-14(12,13)6(7,8)9/h1-3H3,(H,10,11)/p-1.
What are the key properties of (1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate?
(1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate has a molecular weight of 232.20 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2,2-dimethyl-N-(trifluoromethylsulfonyl)propanimidate is sourced from PubChem (CID 155621283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).