(3E)-3-(2,2,2-trifluoroethoxyimino)propan-1-amine

C5H9F3N2O — CID 58684963

IUPAC(3E)-3-(2,2,2-trifluoroethoxyimino)propan-1-amine
SMILESNCC/C=N/OCC(F)(F)F
InChIInChI=1S/C5H9F3N2O/c6-5(7,8)4-11-10-3-1-2-9/h3H,1-2,4,9H2/b10-3+
InChIKeyXMEQUXQDHYDOHY-XCVCLJGOSA-N
MW170.13 g/mol
LogP0.90
Rot. Bonds4

About (3E)-3-(2,2,2-trifluoroethoxyimino)propan-1-amine

(3E)-3-(2,2,2-trifluoroethoxyimino)propan-1-amine (PubChem CID 58684963) has the molecular formula C5H9F3N2O and a molecular weight of 170.13 g/mol. Its IUPAC name is (3E)-3-(2,2,2-trifluoroethoxyimino)propan-1-amine.

Molecular Properties

Compound Name(3E)-3-(2,2,2-trifluoroethoxyimino)propan-1-amine
PubChem CID58684963
Molecular FormulaC5H9F3N2O
Molecular Weight170.13 g/mol
Exact Mass170.07
IUPAC Name(3E)-3-(2,2,2-trifluoroethoxyimino)propan-1-amine
SMILESNCC/C=N/OCC(F)(F)F
InChIInChI=1S/C5H9F3N2O/c6-5(7,8)4-11-10-3-1-2-9/h3H,1-2,4,9H2/b10-3+
InChIKeyXMEQUXQDHYDOHY-XCVCLJGOSA-N
XLogP0.90
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.13
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 (3E)-3-(2,2,2-trifluoroethoxyimino)propan-1-amine?
The IUPAC name of (3E)-3-(2,2,2-trifluoroethoxyimino)propan-1-amine (CID 58684963) is (3E)-3-(2,2,2-trifluoroethoxyimino)propan-1-amine.
What is the SMILES notation for (3E)-3-(2,2,2-trifluoroethoxyimino)propan-1-amine?
The canonical SMILES for (3E)-3-(2,2,2-trifluoroethoxyimino)propan-1-amine is NCC/C=N/OCC(F)(F)F.
What is the InChIKey of (3E)-3-(2,2,2-trifluoroethoxyimino)propan-1-amine?
The InChIKey is XMEQUXQDHYDOHY-XCVCLJGOSA-N. The full InChI is InChI=1S/C5H9F3N2O/c6-5(7,8)4-11-10-3-1-2-9/h3H,1-2,4,9H2/b10-3+.
What are the key properties of (3E)-3-(2,2,2-trifluoroethoxyimino)propan-1-amine?
(3E)-3-(2,2,2-trifluoroethoxyimino)propan-1-amine has a molecular weight of 170.13 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-(2,2,2-trifluoroethoxyimino)propan-1-amine is sourced from PubChem (CID 58684963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).