methyl N'-(2,2,2-trifluoroethyl)carbamimidate

C4H7F3N2O — CID 162589776

IUPACmethyl N'-(2,2,2-trifluoroethyl)carbamimidate
SMILESCO/C(N)=N\CC(F)(F)F
InChIInChI=1S/C4H7F3N2O/c1-10-3(8)9-2-4(5,6)7/h2H2,1H3,(H2,8,9)
InChIKeyJYHHYJDMSLZBMW-UHFFFAOYSA-N
MW156.11 g/mol
LogP0.51
Rot. Bonds1

About methyl N'-(2,2,2-trifluoroethyl)carbamimidate

methyl N'-(2,2,2-trifluoroethyl)carbamimidate (PubChem CID 162589776) has the molecular formula C4H7F3N2O and a molecular weight of 156.11 g/mol. Its IUPAC name is methyl N'-(2,2,2-trifluoroethyl)carbamimidate.

Molecular Properties

Compound Namemethyl N'-(2,2,2-trifluoroethyl)carbamimidate
PubChem CID162589776
Molecular FormulaC4H7F3N2O
Molecular Weight156.11 g/mol
Exact Mass156.05
IUPAC Namemethyl N'-(2,2,2-trifluoroethyl)carbamimidate
SMILESCO/C(N)=N\CC(F)(F)F
InChIInChI=1S/C4H7F3N2O/c1-10-3(8)9-2-4(5,6)7/h2H2,1H3,(H2,8,9)
InChIKeyJYHHYJDMSLZBMW-UHFFFAOYSA-N
XLogP0.51
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.11
LogP ≤ 50.51
H-Bond Donors ≤ 51
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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Related Compounds

phenyl N'-(2,2,2-trifluoroethyl)carbamimidate
CID 142821709
1-amino-3-(2-methoxyethyl)-2-(2,2,2-trifluoroethyl)guanidine
CID 104883049
methyl N'-(trifluoromethylsulfonyl)carbamimidate
CID 22864859
N-propan-2-yl-N'-(2,2,2-trifluoroethyl)ethanimidamide
CID 168742254
methyl N'-tert-butylcarbamimidate
CID 13222079
2-(aminomethylidene)-3-(2,2,2-trifluoroethylimino)butanoic acid
CID 153085878
methyl 3,3,3-trifluoro-N-methylpropanimidate
CID 123873705
methyl 5-imino-5-[4-[[N'-(2,2,2-trifluoroethyl)carbamimidoyl]amino]pyrimidin-2-yl]pentanoate;dihydrochloride
CID 88630998
2,6-dimethyl-4-nitro-5-(2,2,2-trifluoroethylimino)hept-3-en-3-amine
CID 162614685
methyl N'-nitrosocarbamimidate
CID 11105323
1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine
CID 115629389
N'-[4-(2,2,2-trifluoroethoxy)phenyl]butanimidamide
CID 86685401

Frequently Asked Questions

What is the IUPAC name of methyl N'-(2,2,2-trifluoroethyl)carbamimidate?
The IUPAC name of methyl N'-(2,2,2-trifluoroethyl)carbamimidate (CID 162589776) is methyl N'-(2,2,2-trifluoroethyl)carbamimidate.
What is the SMILES notation for methyl N'-(2,2,2-trifluoroethyl)carbamimidate?
The canonical SMILES for methyl N'-(2,2,2-trifluoroethyl)carbamimidate is CO/C(N)=N\CC(F)(F)F.
What is the InChIKey of methyl N'-(2,2,2-trifluoroethyl)carbamimidate?
The InChIKey is JYHHYJDMSLZBMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F3N2O/c1-10-3(8)9-2-4(5,6)7/h2H2,1H3,(H2,8,9).
What are the key properties of methyl N'-(2,2,2-trifluoroethyl)carbamimidate?
methyl N'-(2,2,2-trifluoroethyl)carbamimidate has a molecular weight of 156.11 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(2,2,2-trifluoroethyl)carbamimidate is sourced from PubChem (CID 162589776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).