(2Z,4Z)-6,6,6-trifluoro-N,2-dimethyl-5-(methylideneamino)-1-methyliminohexa-2,4-dien-3-amine

C10H14F3N3 — CID 145011887

IUPAC(2Z,4Z)-6,6,6-trifluoro-N,2-dimethyl-5-(methylideneamino)-1-methyliminohexa-2,4-dien-3-amine
SMILESC=N/C(=C\C(NC)=C(C)\C=N\C)C(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-7(6-14-2)8(15-3)5-9(16-4)10(11,12)13/h5-6,15H,4H2,1-3H3/b8-7-,9-5-,14-6+
InChIKeyZBRYNJYAIMLNKZ-NNUWOQIBSA-N
MW233.24 g/mol
LogP2.33
Rot. Bonds4

About (2Z,4Z)-6,6,6-trifluoro-N,2-dimethyl-5-(methylideneamino)-1-methyliminohexa-2,4-dien-3-amine

(2Z,4Z)-6,6,6-trifluoro-N,2-dimethyl-5-(methylideneamino)-1-methyliminohexa-2,4-dien-3-amine (PubChem CID 145011887) has the molecular formula C10H14F3N3 and a molecular weight of 233.24 g/mol. Its IUPAC name is (2Z,4Z)-6,6,6-trifluoro-N,2-dimethyl-5-(methylideneamino)-1-methyliminohexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2Z,4Z)-6,6,6-trifluoro-N,2-dimethyl-5-(methylideneamino)-1-methyliminohexa-2,4-dien-3-amine
PubChem CID145011887
Molecular FormulaC10H14F3N3
Molecular Weight233.24 g/mol
Exact Mass233.11
IUPAC Name(2Z,4Z)-6,6,6-trifluoro-N,2-dimethyl-5-(methylideneamino)-1-methyliminohexa-2,4-dien-3-amine
SMILESC=N/C(=C\C(NC)=C(C)\C=N\C)C(F)(F)F
InChIInChI=1S/C10H14F3N3/c1-7(6-14-2)8(15-3)5-9(16-4)10(11,12)13/h5-6,15H,4H2,1-3H3/b8-7-,9-5-,14-6+
InChIKeyZBRYNJYAIMLNKZ-NNUWOQIBSA-N
XLogP2.33
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-6,6,6-trifluoro-N,2-dimethyl-5-(methylideneamino)-1-methyliminohexa-2,4-dien-3-amine?
The IUPAC name of (2Z,4Z)-6,6,6-trifluoro-N,2-dimethyl-5-(methylideneamino)-1-methyliminohexa-2,4-dien-3-amine (CID 145011887) is (2Z,4Z)-6,6,6-trifluoro-N,2-dimethyl-5-(methylideneamino)-1-methyliminohexa-2,4-dien-3-amine.
What is the SMILES notation for (2Z,4Z)-6,6,6-trifluoro-N,2-dimethyl-5-(methylideneamino)-1-methyliminohexa-2,4-dien-3-amine?
The canonical SMILES for (2Z,4Z)-6,6,6-trifluoro-N,2-dimethyl-5-(methylideneamino)-1-methyliminohexa-2,4-dien-3-amine is C=N/C(=C\C(NC)=C(C)\C=N\C)C(F)(F)F.
What is the InChIKey of (2Z,4Z)-6,6,6-trifluoro-N,2-dimethyl-5-(methylideneamino)-1-methyliminohexa-2,4-dien-3-amine?
The InChIKey is ZBRYNJYAIMLNKZ-NNUWOQIBSA-N. The full InChI is InChI=1S/C10H14F3N3/c1-7(6-14-2)8(15-3)5-9(16-4)10(11,12)13/h5-6,15H,4H2,1-3H3/b8-7-,9-5-,14-6+.
What are the key properties of (2Z,4Z)-6,6,6-trifluoro-N,2-dimethyl-5-(methylideneamino)-1-methyliminohexa-2,4-dien-3-amine?
(2Z,4Z)-6,6,6-trifluoro-N,2-dimethyl-5-(methylideneamino)-1-methyliminohexa-2,4-dien-3-amine has a molecular weight of 233.24 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-6,6,6-trifluoro-N,2-dimethyl-5-(methylideneamino)-1-methyliminohexa-2,4-dien-3-amine is sourced from PubChem (CID 145011887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).