methyl N-(2,2-difluoroethyl)-N'-ethenyl-N-methylcarbamimidate

C7H12F2N2O — CID 167062202

IUPACmethyl N-(2,2-difluoroethyl)-N'-ethenyl-N-methylcarbamimidate
SMILESC=C/N=C(\OC)N(C)CC(F)F
InChIInChI=1S/C7H12F2N2O/c1-4-10-7(12-3)11(2)5-6(8)9/h4,6H,1,5H2,2-3H3/b10-7-
InChIKeyRQUWWFWVVNPKAW-YFHOEESVSA-N
MW178.18 g/mol
LogP1.33
Rot. Bonds3

About methyl N-(2,2-difluoroethyl)-N'-ethenyl-N-methylcarbamimidate

methyl N-(2,2-difluoroethyl)-N'-ethenyl-N-methylcarbamimidate (PubChem CID 167062202) has the molecular formula C7H12F2N2O and a molecular weight of 178.18 g/mol. Its IUPAC name is methyl N-(2,2-difluoroethyl)-N'-ethenyl-N-methylcarbamimidate.

Molecular Properties

Compound Namemethyl N-(2,2-difluoroethyl)-N'-ethenyl-N-methylcarbamimidate
PubChem CID167062202
Molecular FormulaC7H12F2N2O
Molecular Weight178.18 g/mol
Exact Mass178.09
IUPAC Namemethyl N-(2,2-difluoroethyl)-N'-ethenyl-N-methylcarbamimidate
SMILESC=C/N=C(\OC)N(C)CC(F)F
InChIInChI=1S/C7H12F2N2O/c1-4-10-7(12-3)11(2)5-6(8)9/h4,6H,1,5H2,2-3H3/b10-7-
InChIKeyRQUWWFWVVNPKAW-YFHOEESVSA-N
XLogP1.33
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.18
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-(2,2-difluoroethyl)-N'-ethenyl-N-methylcarbamimidate?
The IUPAC name of methyl N-(2,2-difluoroethyl)-N'-ethenyl-N-methylcarbamimidate (CID 167062202) is methyl N-(2,2-difluoroethyl)-N'-ethenyl-N-methylcarbamimidate.
What is the SMILES notation for methyl N-(2,2-difluoroethyl)-N'-ethenyl-N-methylcarbamimidate?
The canonical SMILES for methyl N-(2,2-difluoroethyl)-N'-ethenyl-N-methylcarbamimidate is C=C/N=C(\OC)N(C)CC(F)F.
What is the InChIKey of methyl N-(2,2-difluoroethyl)-N'-ethenyl-N-methylcarbamimidate?
The InChIKey is RQUWWFWVVNPKAW-YFHOEESVSA-N. The full InChI is InChI=1S/C7H12F2N2O/c1-4-10-7(12-3)11(2)5-6(8)9/h4,6H,1,5H2,2-3H3/b10-7-.
What are the key properties of methyl N-(2,2-difluoroethyl)-N'-ethenyl-N-methylcarbamimidate?
methyl N-(2,2-difluoroethyl)-N'-ethenyl-N-methylcarbamimidate has a molecular weight of 178.18 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,2-difluoroethyl)-N'-ethenyl-N-methylcarbamimidate is sourced from PubChem (CID 167062202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).