(E)-N-[(E)-2-methyloct-4-en-4-yl]-2-(trifluoromethyl)but-2-en-1-imine

C14H22F3N — CID 176958303

IUPAC(E)-N-[(E)-2-methyloct-4-en-4-yl]-2-(trifluoromethyl)but-2-en-1-imine
SMILESC/C=C(\C=N\C(=C\CCC)CC(C)C)C(F)(F)F
InChIInChI=1S/C14H22F3N/c1-5-7-8-13(9-11(3)4)18-10-12(6-2)14(15,16)17/h6,8,10-11H,5,7,9H2,1-4H3/b12-6+,13-8+,18-10+
InChIKeyMILCIYPMGYVPOV-CYXIWGLSSA-N
MW261.33 g/mol
LogP5.30
Rot. Bonds6

About (E)-N-[(E)-2-methyloct-4-en-4-yl]-2-(trifluoromethyl)but-2-en-1-imine

(E)-N-[(E)-2-methyloct-4-en-4-yl]-2-(trifluoromethyl)but-2-en-1-imine (PubChem CID 176958303) has the molecular formula C14H22F3N and a molecular weight of 261.33 g/mol. Its IUPAC name is (E)-N-[(E)-2-methyloct-4-en-4-yl]-2-(trifluoromethyl)but-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[(E)-2-methyloct-4-en-4-yl]-2-(trifluoromethyl)but-2-en-1-imine
PubChem CID176958303
Molecular FormulaC14H22F3N
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name(E)-N-[(E)-2-methyloct-4-en-4-yl]-2-(trifluoromethyl)but-2-en-1-imine
SMILESC/C=C(\C=N\C(=C\CCC)CC(C)C)C(F)(F)F
InChIInChI=1S/C14H22F3N/c1-5-7-8-13(9-11(3)4)18-10-12(6-2)14(15,16)17/h6,8,10-11H,5,7,9H2,1-4H3/b12-6+,13-8+,18-10+
InChIKeyMILCIYPMGYVPOV-CYXIWGLSSA-N
XLogP5.30
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500261.33
LogP ≤ 55.30
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 (E)-N-[(E)-2-methyloct-4-en-4-yl]-2-(trifluoromethyl)but-2-en-1-imine?
The IUPAC name of (E)-N-[(E)-2-methyloct-4-en-4-yl]-2-(trifluoromethyl)but-2-en-1-imine (CID 176958303) is (E)-N-[(E)-2-methyloct-4-en-4-yl]-2-(trifluoromethyl)but-2-en-1-imine.
What is the SMILES notation for (E)-N-[(E)-2-methyloct-4-en-4-yl]-2-(trifluoromethyl)but-2-en-1-imine?
The canonical SMILES for (E)-N-[(E)-2-methyloct-4-en-4-yl]-2-(trifluoromethyl)but-2-en-1-imine is C/C=C(\C=N\C(=C\CCC)CC(C)C)C(F)(F)F.
What is the InChIKey of (E)-N-[(E)-2-methyloct-4-en-4-yl]-2-(trifluoromethyl)but-2-en-1-imine?
The InChIKey is MILCIYPMGYVPOV-CYXIWGLSSA-N. The full InChI is InChI=1S/C14H22F3N/c1-5-7-8-13(9-11(3)4)18-10-12(6-2)14(15,16)17/h6,8,10-11H,5,7,9H2,1-4H3/b12-6+,13-8+,18-10+.
What are the key properties of (E)-N-[(E)-2-methyloct-4-en-4-yl]-2-(trifluoromethyl)but-2-en-1-imine?
(E)-N-[(E)-2-methyloct-4-en-4-yl]-2-(trifluoromethyl)but-2-en-1-imine has a molecular weight of 261.33 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(E)-2-methyloct-4-en-4-yl]-2-(trifluoromethyl)but-2-en-1-imine is sourced from PubChem (CID 176958303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).