(2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)pent-4-en-1-imine

C9H12F3N — CID 147592082

IUPAC(2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)pent-4-en-1-imine
SMILES[H]/N=C/C(=C\C)C(C(=C)C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-4-7(5-13)8(6(2)3)9(10,11)12/h4-5,8,13H,2H2,1,3H3/b7-4+,13-5+
InChIKeyFYMIGUOEBHIWRG-RWMVUUEKSA-N
MW191.20 g/mol
LogP3.34
Rot. Bonds3

About (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)pent-4-en-1-imine

(2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)pent-4-en-1-imine (PubChem CID 147592082) has the molecular formula C9H12F3N and a molecular weight of 191.20 g/mol. Its IUPAC name is (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)pent-4-en-1-imine.

Molecular Properties

Compound Name(2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)pent-4-en-1-imine
PubChem CID147592082
Molecular FormulaC9H12F3N
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name(2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)pent-4-en-1-imine
SMILES[H]/N=C/C(=C\C)C(C(=C)C)C(F)(F)F
InChIInChI=1S/C9H12F3N/c1-4-7(5-13)8(6(2)3)9(10,11)12/h4-5,8,13H,2H2,1,3H3/b7-4+,13-5+
InChIKeyFYMIGUOEBHIWRG-RWMVUUEKSA-N
XLogP3.34
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)pent-4-en-1-imine?
The IUPAC name of (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)pent-4-en-1-imine (CID 147592082) is (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)pent-4-en-1-imine.
What is the SMILES notation for (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)pent-4-en-1-imine?
The canonical SMILES for (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)pent-4-en-1-imine is [H]/N=C/C(=C\C)C(C(=C)C)C(F)(F)F.
What is the InChIKey of (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)pent-4-en-1-imine?
The InChIKey is FYMIGUOEBHIWRG-RWMVUUEKSA-N. The full InChI is InChI=1S/C9H12F3N/c1-4-7(5-13)8(6(2)3)9(10,11)12/h4-5,8,13H,2H2,1,3H3/b7-4+,13-5+.
What are the key properties of (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)pent-4-en-1-imine?
(2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)pent-4-en-1-imine has a molecular weight of 191.20 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-4-methyl-3-(trifluoromethyl)pent-4-en-1-imine is sourced from PubChem (CID 147592082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).