(2Z,4E)-N'-(2,2,2-trifluoroethyl)hepta-2,4,6-trienimidamide

C9H11F3N2 — CID 166776386

IUPAC(2Z,4E)-N'-(2,2,2-trifluoroethyl)hepta-2,4,6-trienimidamide
SMILESC=C/C=C/C=C\C(N)=N\CC(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-2-3-4-5-6-8(13)14-7-9(10,11)12/h2-6H,1,7H2,(H2,13,14)/b4-3+,6-5-
InChIKeyHROXFTRHHQDFST-ICWBMWKASA-N
MW204.20 g/mol
LogP2.20
Rot. Bonds4

About (2Z,4E)-N'-(2,2,2-trifluoroethyl)hepta-2,4,6-trienimidamide

(2Z,4E)-N'-(2,2,2-trifluoroethyl)hepta-2,4,6-trienimidamide (PubChem CID 166776386) has the molecular formula C9H11F3N2 and a molecular weight of 204.20 g/mol. Its IUPAC name is (2Z,4E)-N'-(2,2,2-trifluoroethyl)hepta-2,4,6-trienimidamide.

Molecular Properties

Compound Name(2Z,4E)-N'-(2,2,2-trifluoroethyl)hepta-2,4,6-trienimidamide
PubChem CID166776386
Molecular FormulaC9H11F3N2
Molecular Weight204.20 g/mol
Exact Mass204.09
IUPAC Name(2Z,4E)-N'-(2,2,2-trifluoroethyl)hepta-2,4,6-trienimidamide
SMILESC=C/C=C/C=C\C(N)=N\CC(F)(F)F
InChIInChI=1S/C9H11F3N2/c1-2-3-4-5-6-8(13)14-7-9(10,11)12/h2-6H,1,7H2,(H2,13,14)/b4-3+,6-5-
InChIKeyHROXFTRHHQDFST-ICWBMWKASA-N
XLogP2.20
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.20
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-N'-(2,2,2-trifluoroethyl)hepta-2,4,6-trienimidamide?
The IUPAC name of (2Z,4E)-N'-(2,2,2-trifluoroethyl)hepta-2,4,6-trienimidamide (CID 166776386) is (2Z,4E)-N'-(2,2,2-trifluoroethyl)hepta-2,4,6-trienimidamide.
What is the SMILES notation for (2Z,4E)-N'-(2,2,2-trifluoroethyl)hepta-2,4,6-trienimidamide?
The canonical SMILES for (2Z,4E)-N'-(2,2,2-trifluoroethyl)hepta-2,4,6-trienimidamide is C=C/C=C/C=C\C(N)=N\CC(F)(F)F.
What is the InChIKey of (2Z,4E)-N'-(2,2,2-trifluoroethyl)hepta-2,4,6-trienimidamide?
The InChIKey is HROXFTRHHQDFST-ICWBMWKASA-N. The full InChI is InChI=1S/C9H11F3N2/c1-2-3-4-5-6-8(13)14-7-9(10,11)12/h2-6H,1,7H2,(H2,13,14)/b4-3+,6-5-.
What are the key properties of (2Z,4E)-N'-(2,2,2-trifluoroethyl)hepta-2,4,6-trienimidamide?
(2Z,4E)-N'-(2,2,2-trifluoroethyl)hepta-2,4,6-trienimidamide has a molecular weight of 204.20 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-N'-(2,2,2-trifluoroethyl)hepta-2,4,6-trienimidamide is sourced from PubChem (CID 166776386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).