(Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hex-4-en-3-imine

C11H16F3N — CID 170107280

IUPAC(Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hex-4-en-3-imine
SMILESC/C=C\C(=N\C=C(/C)C(F)(F)F)C(C)C
InChIInChI=1S/C11H16F3N/c1-5-6-10(8(2)3)15-7-9(4)11(12,13)14/h5-8H,1-4H3/b6-5-,9-7+,15-10-
InChIKeyOQSGRIZOBHADIS-AYYIANHUSA-N
MW219.25 g/mol
LogP4.13
Rot. Bonds3

About (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hex-4-en-3-imine

(Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hex-4-en-3-imine (PubChem CID 170107280) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hex-4-en-3-imine.

Molecular Properties

Compound Name(Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hex-4-en-3-imine
PubChem CID170107280
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name(Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hex-4-en-3-imine
SMILESC/C=C\C(=N\C=C(/C)C(F)(F)F)C(C)C
InChIInChI=1S/C11H16F3N/c1-5-6-10(8(2)3)15-7-9(4)11(12,13)14/h5-8H,1-4H3/b6-5-,9-7+,15-10-
InChIKeyOQSGRIZOBHADIS-AYYIANHUSA-N
XLogP4.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 54.13
H-Bond Donors ≤ 50
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 (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hex-4-en-3-imine?
The IUPAC name of (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hex-4-en-3-imine (CID 170107280) is (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hex-4-en-3-imine.
What is the SMILES notation for (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hex-4-en-3-imine?
The canonical SMILES for (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hex-4-en-3-imine is C/C=C\C(=N\C=C(/C)C(F)(F)F)C(C)C.
What is the InChIKey of (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hex-4-en-3-imine?
The InChIKey is OQSGRIZOBHADIS-AYYIANHUSA-N. The full InChI is InChI=1S/C11H16F3N/c1-5-6-10(8(2)3)15-7-9(4)11(12,13)14/h5-8H,1-4H3/b6-5-,9-7+,15-10-.
What are the key properties of (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hex-4-en-3-imine?
(Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hex-4-en-3-imine has a molecular weight of 219.25 g/mol, XLogP of 4.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-N-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]hex-4-en-3-imine is sourced from PubChem (CID 170107280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).