(E)-5,5,5-trifluoro-3,4-dimethylpent-3-en-2-imine

C7H10F3N — CID 142052023

IUPAC(E)-5,5,5-trifluoro-3,4-dimethylpent-3-en-2-imine
SMILES[H]/N=C(C)/C(C)=C(\C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-4(6(3)11)5(2)7(8,9)10/h11H,1-3H3/b5-4+,11-6+
InChIKeyFLNOQZCWQCFLDR-LJIKRCSCSA-N
MW165.16 g/mol
LogP2.92
Rot. Bonds1

About (E)-5,5,5-trifluoro-3,4-dimethylpent-3-en-2-imine

(E)-5,5,5-trifluoro-3,4-dimethylpent-3-en-2-imine (PubChem CID 142052023) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is (E)-5,5,5-trifluoro-3,4-dimethylpent-3-en-2-imine.

Molecular Properties

Compound Name(E)-5,5,5-trifluoro-3,4-dimethylpent-3-en-2-imine
PubChem CID142052023
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name(E)-5,5,5-trifluoro-3,4-dimethylpent-3-en-2-imine
SMILES[H]/N=C(C)/C(C)=C(\C)C(F)(F)F
InChIInChI=1S/C7H10F3N/c1-4(6(3)11)5(2)7(8,9)10/h11H,1-3H3/b5-4+,11-6+
InChIKeyFLNOQZCWQCFLDR-LJIKRCSCSA-N
XLogP2.92
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-5,5,5-trifluoro-3,4-dimethylpent-3-en-2-imine?
The IUPAC name of (E)-5,5,5-trifluoro-3,4-dimethylpent-3-en-2-imine (CID 142052023) is (E)-5,5,5-trifluoro-3,4-dimethylpent-3-en-2-imine.
What is the SMILES notation for (E)-5,5,5-trifluoro-3,4-dimethylpent-3-en-2-imine?
The canonical SMILES for (E)-5,5,5-trifluoro-3,4-dimethylpent-3-en-2-imine is [H]/N=C(C)/C(C)=C(\C)C(F)(F)F.
What is the InChIKey of (E)-5,5,5-trifluoro-3,4-dimethylpent-3-en-2-imine?
The InChIKey is FLNOQZCWQCFLDR-LJIKRCSCSA-N. The full InChI is InChI=1S/C7H10F3N/c1-4(6(3)11)5(2)7(8,9)10/h11H,1-3H3/b5-4+,11-6+.
What are the key properties of (E)-5,5,5-trifluoro-3,4-dimethylpent-3-en-2-imine?
(E)-5,5,5-trifluoro-3,4-dimethylpent-3-en-2-imine has a molecular weight of 165.16 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5,5,5-trifluoro-3,4-dimethylpent-3-en-2-imine is sourced from PubChem (CID 142052023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).