N'-[2-[2,6-bis(trifluoromethyl)phenyl]ethenyl]ethanimidamide

C12H10F6N2 — CID 54489212

IUPACN'-[2-[2,6-bis(trifluoromethyl)phenyl]ethenyl]ethanimidamide
SMILESC/C(N)=N\C=Cc1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C12H10F6N2/c1-7(19)20-6-5-8-9(11(13,14)15)3-2-4-10(8)12(16,17)18/h2-6H,1H3,(H2,19,20)
InChIKeyXUNNULATGLDSDZ-UHFFFAOYSA-N
MW296.21 g/mol
LogP4.07
Rot. Bonds2

About N'-[2-[2,6-bis(trifluoromethyl)phenyl]ethenyl]ethanimidamide

N'-[2-[2,6-bis(trifluoromethyl)phenyl]ethenyl]ethanimidamide (PubChem CID 54489212) has the molecular formula C12H10F6N2 and a molecular weight of 296.21 g/mol. Its IUPAC name is N'-[2-[2,6-bis(trifluoromethyl)phenyl]ethenyl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-[2,6-bis(trifluoromethyl)phenyl]ethenyl]ethanimidamide
PubChem CID54489212
Molecular FormulaC12H10F6N2
Molecular Weight296.21 g/mol
Exact Mass296.07
IUPAC NameN'-[2-[2,6-bis(trifluoromethyl)phenyl]ethenyl]ethanimidamide
SMILESC/C(N)=N\C=Cc1c(C(F)(F)F)cccc1C(F)(F)F
InChIInChI=1S/C12H10F6N2/c1-7(19)20-6-5-8-9(11(13,14)15)3-2-4-10(8)12(16,17)18/h2-6H,1H3,(H2,19,20)
InChIKeyXUNNULATGLDSDZ-UHFFFAOYSA-N
XLogP4.07
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 54.07
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-[2,6-bis(trifluoromethyl)phenyl]ethenyl]ethanimidamide?
The IUPAC name of N'-[2-[2,6-bis(trifluoromethyl)phenyl]ethenyl]ethanimidamide (CID 54489212) is N'-[2-[2,6-bis(trifluoromethyl)phenyl]ethenyl]ethanimidamide.
What is the SMILES notation for N'-[2-[2,6-bis(trifluoromethyl)phenyl]ethenyl]ethanimidamide?
The canonical SMILES for N'-[2-[2,6-bis(trifluoromethyl)phenyl]ethenyl]ethanimidamide is C/C(N)=N\C=Cc1c(C(F)(F)F)cccc1C(F)(F)F.
What is the InChIKey of N'-[2-[2,6-bis(trifluoromethyl)phenyl]ethenyl]ethanimidamide?
The InChIKey is XUNNULATGLDSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F6N2/c1-7(19)20-6-5-8-9(11(13,14)15)3-2-4-10(8)12(16,17)18/h2-6H,1H3,(H2,19,20).
What are the key properties of N'-[2-[2,6-bis(trifluoromethyl)phenyl]ethenyl]ethanimidamide?
N'-[2-[2,6-bis(trifluoromethyl)phenyl]ethenyl]ethanimidamide has a molecular weight of 296.21 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2,6-bis(trifluoromethyl)phenyl]ethenyl]ethanimidamide is sourced from PubChem (CID 54489212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).