(E)-1-cyclopentyl-N-(trifluoromethoxy)propan-1-imine

C9H14F3NO — CID 122659209

IUPAC(E)-1-cyclopentyl-N-(trifluoromethoxy)propan-1-imine
SMILESCC/C(=N\OC(F)(F)F)C1CCCC1
InChIInChI=1S/C9H14F3NO/c1-2-8(7-5-3-4-6-7)13-14-9(10,11)12/h7H,2-6H2,1H3/b13-8+
InChIKeyLBBYDXFUMLJVHQ-MDWZMJQESA-N
MW209.21 g/mol
LogP3.48
Rot. Bonds3

About (E)-1-cyclopentyl-N-(trifluoromethoxy)propan-1-imine

(E)-1-cyclopentyl-N-(trifluoromethoxy)propan-1-imine (PubChem CID 122659209) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is (E)-1-cyclopentyl-N-(trifluoromethoxy)propan-1-imine.

Molecular Properties

Compound Name(E)-1-cyclopentyl-N-(trifluoromethoxy)propan-1-imine
PubChem CID122659209
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name(E)-1-cyclopentyl-N-(trifluoromethoxy)propan-1-imine
SMILESCC/C(=N\OC(F)(F)F)C1CCCC1
InChIInChI=1S/C9H14F3NO/c1-2-8(7-5-3-4-6-7)13-14-9(10,11)12/h7H,2-6H2,1H3/b13-8+
InChIKeyLBBYDXFUMLJVHQ-MDWZMJQESA-N
XLogP3.48
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclopentyl-N-(trifluoromethoxy)propan-1-imine?
The IUPAC name of (E)-1-cyclopentyl-N-(trifluoromethoxy)propan-1-imine (CID 122659209) is (E)-1-cyclopentyl-N-(trifluoromethoxy)propan-1-imine.
What is the SMILES notation for (E)-1-cyclopentyl-N-(trifluoromethoxy)propan-1-imine?
The canonical SMILES for (E)-1-cyclopentyl-N-(trifluoromethoxy)propan-1-imine is CC/C(=N\OC(F)(F)F)C1CCCC1.
What is the InChIKey of (E)-1-cyclopentyl-N-(trifluoromethoxy)propan-1-imine?
The InChIKey is LBBYDXFUMLJVHQ-MDWZMJQESA-N. The full InChI is InChI=1S/C9H14F3NO/c1-2-8(7-5-3-4-6-7)13-14-9(10,11)12/h7H,2-6H2,1H3/b13-8+.
What are the key properties of (E)-1-cyclopentyl-N-(trifluoromethoxy)propan-1-imine?
(E)-1-cyclopentyl-N-(trifluoromethoxy)propan-1-imine has a molecular weight of 209.21 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclopentyl-N-(trifluoromethoxy)propan-1-imine is sourced from PubChem (CID 122659209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).