N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide

C6H7F3N2 — CID 143343722

IUPACN'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide
SMILESC=C/N=C(\N=C\C)C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-3-10-5(11-4-2)6(7,8)9/h3-4H,1H2,2H3/b10-5-,11-4+
InChIKeyGWFRKTNXETXYHC-AOXYUYCMSA-N
MW164.13 g/mol
LogP2.18
Rot. Bonds1

About N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide

N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide (PubChem CID 143343722) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide.

Molecular Properties

Compound NameN'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide
PubChem CID143343722
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC NameN'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide
SMILESC=C/N=C(\N=C\C)C(F)(F)F
InChIInChI=1S/C6H7F3N2/c1-3-10-5(11-4-2)6(7,8)9/h3-4H,1H2,2H3/b10-5-,11-4+
InChIKeyGWFRKTNXETXYHC-AOXYUYCMSA-N
XLogP2.18
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

ethane;N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide
CID 143343721
N'-ethenyl-2,2,2-trifluoro-N-methylideneethanimidamide
CID 163299053
N'-ethenyl-N-ethylideneethanimidamide
CID 117650339
N'-ethenyl-N-[(ethylideneamino)methylidene]ethanimidamide
CID 156111759
N'-(ethenyliminomethyl)-N-ethylideneethanimidamide
CID 147213919

Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide?
The IUPAC name of N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide (CID 143343722) is N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide.
What is the SMILES notation for N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide?
The canonical SMILES for N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide is C=C/N=C(\N=C\C)C(F)(F)F.
What is the InChIKey of N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide?
The InChIKey is GWFRKTNXETXYHC-AOXYUYCMSA-N. The full InChI is InChI=1S/C6H7F3N2/c1-3-10-5(11-4-2)6(7,8)9/h3-4H,1H2,2H3/b10-5-,11-4+.
What are the key properties of N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide?
N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide has a molecular weight of 164.13 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-ethylidene-2,2,2-trifluoroethanimidamide is sourced from PubChem (CID 143343722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).