(2E)-N-(2-methylpropyl)-2-(trifluoromethyl)penta-2,4-dien-1-imine

C10H14F3N — CID 174275246

IUPAC(2E)-N-(2-methylpropyl)-2-(trifluoromethyl)penta-2,4-dien-1-imine
SMILESC=C/C=C(\C=N\CC(C)C)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-5-9(10(11,12)13)7-14-6-8(2)3/h4-5,7-8H,1,6H2,2-3H3/b9-5+,14-7+
InChIKeyMEIAKDRBHGNGCF-ZYHMVMLGSA-N
MW205.22 g/mol
LogP3.39
Rot. Bonds4

About (2E)-N-(2-methylpropyl)-2-(trifluoromethyl)penta-2,4-dien-1-imine

(2E)-N-(2-methylpropyl)-2-(trifluoromethyl)penta-2,4-dien-1-imine (PubChem CID 174275246) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is (2E)-N-(2-methylpropyl)-2-(trifluoromethyl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-N-(2-methylpropyl)-2-(trifluoromethyl)penta-2,4-dien-1-imine
PubChem CID174275246
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name(2E)-N-(2-methylpropyl)-2-(trifluoromethyl)penta-2,4-dien-1-imine
SMILESC=C/C=C(\C=N\CC(C)C)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-4-5-9(10(11,12)13)7-14-6-8(2)3/h4-5,7-8H,1,6H2,2-3H3/b9-5+,14-7+
InChIKeyMEIAKDRBHGNGCF-ZYHMVMLGSA-N
XLogP3.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N-(2-methylpropyl)-2-(trifluoromethyl)penta-2,4-dien-1-imine?
The IUPAC name of (2E)-N-(2-methylpropyl)-2-(trifluoromethyl)penta-2,4-dien-1-imine (CID 174275246) is (2E)-N-(2-methylpropyl)-2-(trifluoromethyl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-N-(2-methylpropyl)-2-(trifluoromethyl)penta-2,4-dien-1-imine?
The canonical SMILES for (2E)-N-(2-methylpropyl)-2-(trifluoromethyl)penta-2,4-dien-1-imine is C=C/C=C(\C=N\CC(C)C)C(F)(F)F.
What is the InChIKey of (2E)-N-(2-methylpropyl)-2-(trifluoromethyl)penta-2,4-dien-1-imine?
The InChIKey is MEIAKDRBHGNGCF-ZYHMVMLGSA-N. The full InChI is InChI=1S/C10H14F3N/c1-4-5-9(10(11,12)13)7-14-6-8(2)3/h4-5,7-8H,1,6H2,2-3H3/b9-5+,14-7+.
What are the key properties of (2E)-N-(2-methylpropyl)-2-(trifluoromethyl)penta-2,4-dien-1-imine?
(2E)-N-(2-methylpropyl)-2-(trifluoromethyl)penta-2,4-dien-1-imine has a molecular weight of 205.22 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-(2-methylpropyl)-2-(trifluoromethyl)penta-2,4-dien-1-imine is sourced from PubChem (CID 174275246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).