N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide

C5H7F3N2O — CID 143770359

IUPACN-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide
SMILESC=N/C(C)=N\OCC(F)(F)F
InChIInChI=1S/C5H7F3N2O/c1-4(9-2)10-11-3-5(6,7)8/h2-3H2,1H3/b10-4-
InChIKeyUHUDUIDXESDPPM-WMZJFQQLSA-N
MW168.12 g/mol
LogP1.60
Rot. Bonds2

About N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide

N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide (PubChem CID 143770359) has the molecular formula C5H7F3N2O and a molecular weight of 168.12 g/mol. Its IUPAC name is N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide.

Molecular Properties

Compound NameN-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide
PubChem CID143770359
Molecular FormulaC5H7F3N2O
Molecular Weight168.12 g/mol
Exact Mass168.05
IUPAC NameN-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide
SMILESC=N/C(C)=N\OCC(F)(F)F
InChIInChI=1S/C5H7F3N2O/c1-4(9-2)10-11-3-5(6,7)8/h2-3H2,1H3/b10-4-
InChIKeyUHUDUIDXESDPPM-WMZJFQQLSA-N
XLogP1.60
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.12
LogP ≤ 51.60
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine
CID 173208454
2-methyl-1-(2,2,2-trifluoroethoxy)prop-2-en-1-ol
CID 144715413
(E)-N-(2,2,2-trifluoroethoxy)ethanimine
CID 130340574
2,5-dimethyl-3-(2,2,2-trifluoroethoxy)hexa-2,4-diene
CID 88576082
oxo-prop-1-en-2-yl-(2,2,2-trifluoroethoxy)phosphanium
CID 87624153
(E)-N-(2,2-dimethylpropoxy)-5,5,5-trifluoropent-1-en-3-imine
CID 172987289
2,2,2-trifluoroethyl (1E)-N-propan-2-ylideneethanehydrazonate
CID 13199102
3-(2,2,2-trifluoroethoxy)but-3-en-2-one
CID 71773825
2,2,2-trifluoroethyl 2-methylprop-2-enoate
CID 9608
dimethyl-methylimino-(2,2,2-trifluoroethoxy)-λ5-phosphane
CID 21353004
2,2,2-trifluoroethyl 2-methylprop-2-eneperoxoate
CID 155125944
2,2,2-trifluoroethyl (Z)-3-aminobut-2-enoate
CID 19107499

Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide?
The IUPAC name of N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide (CID 143770359) is N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide.
What is the SMILES notation for N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide?
The canonical SMILES for N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide is C=N/C(C)=N\OCC(F)(F)F.
What is the InChIKey of N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide?
The InChIKey is UHUDUIDXESDPPM-WMZJFQQLSA-N. The full InChI is InChI=1S/C5H7F3N2O/c1-4(9-2)10-11-3-5(6,7)8/h2-3H2,1H3/b10-4-.
What are the key properties of N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide?
N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide has a molecular weight of 168.12 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-(2,2,2-trifluoroethoxy)ethanimidamide is sourced from PubChem (CID 143770359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).