(E)-2-(3-methylbutan-2-yl)-3-(trifluoromethyl)but-2-ene-1,4-diimine

C10H15F3N2 — CID 170214322

IUPAC(E)-2-(3-methylbutan-2-yl)-3-(trifluoromethyl)but-2-ene-1,4-diimine
SMILES[H]/N=C/C(=C(\C=N\[H])C(F)(F)F)C(C)C(C)C
InChIInChI=1S/C10H15F3N2/c1-6(2)7(3)8(4-14)9(5-15)10(11,12)13/h4-7,14-15H,1-3H3/b9-8-,14-4+,15-5+
InChIKeyCZIDKPQOMFJHKJ-QBCAPYOMSA-N
MW220.24 g/mol
LogP3.44
Rot. Bonds4

About (E)-2-(3-methylbutan-2-yl)-3-(trifluoromethyl)but-2-ene-1,4-diimine

(E)-2-(3-methylbutan-2-yl)-3-(trifluoromethyl)but-2-ene-1,4-diimine (PubChem CID 170214322) has the molecular formula C10H15F3N2 and a molecular weight of 220.24 g/mol. Its IUPAC name is (E)-2-(3-methylbutan-2-yl)-3-(trifluoromethyl)but-2-ene-1,4-diimine.

Molecular Properties

Compound Name(E)-2-(3-methylbutan-2-yl)-3-(trifluoromethyl)but-2-ene-1,4-diimine
PubChem CID170214322
Molecular FormulaC10H15F3N2
Molecular Weight220.24 g/mol
Exact Mass220.12
IUPAC Name(E)-2-(3-methylbutan-2-yl)-3-(trifluoromethyl)but-2-ene-1,4-diimine
SMILES[H]/N=C/C(=C(\C=N\[H])C(F)(F)F)C(C)C(C)C
InChIInChI=1S/C10H15F3N2/c1-6(2)7(3)8(4-14)9(5-15)10(11,12)13/h4-7,14-15H,1-3H3/b9-8-,14-4+,15-5+
InChIKeyCZIDKPQOMFJHKJ-QBCAPYOMSA-N
XLogP3.44
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-2-(3-methylbutan-2-yl)-3-(trifluoromethyl)but-2-ene-1,4-diimine?
The IUPAC name of (E)-2-(3-methylbutan-2-yl)-3-(trifluoromethyl)but-2-ene-1,4-diimine (CID 170214322) is (E)-2-(3-methylbutan-2-yl)-3-(trifluoromethyl)but-2-ene-1,4-diimine.
What is the SMILES notation for (E)-2-(3-methylbutan-2-yl)-3-(trifluoromethyl)but-2-ene-1,4-diimine?
The canonical SMILES for (E)-2-(3-methylbutan-2-yl)-3-(trifluoromethyl)but-2-ene-1,4-diimine is [H]/N=C/C(=C(\C=N\[H])C(F)(F)F)C(C)C(C)C.
What is the InChIKey of (E)-2-(3-methylbutan-2-yl)-3-(trifluoromethyl)but-2-ene-1,4-diimine?
The InChIKey is CZIDKPQOMFJHKJ-QBCAPYOMSA-N. The full InChI is InChI=1S/C10H15F3N2/c1-6(2)7(3)8(4-14)9(5-15)10(11,12)13/h4-7,14-15H,1-3H3/b9-8-,14-4+,15-5+.
What are the key properties of (E)-2-(3-methylbutan-2-yl)-3-(trifluoromethyl)but-2-ene-1,4-diimine?
(E)-2-(3-methylbutan-2-yl)-3-(trifluoromethyl)but-2-ene-1,4-diimine has a molecular weight of 220.24 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-methylbutan-2-yl)-3-(trifluoromethyl)but-2-ene-1,4-diimine is sourced from PubChem (CID 170214322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).