N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoro-1-phenylethanimine

C12H12F3NO3 — CID 54051290

IUPACN-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoro-1-phenylethanimine
SMILESFC(F)(F)C(=NOCC1OCCO1)c1ccccc1
InChIInChI=1S/C12H12F3NO3/c13-12(14,15)11(9-4-2-1-3-5-9)16-19-8-10-17-6-7-18-10/h1-5,10H,6-8H2
InChIKeyLTAXKDMBDOACER-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.34
Rot. Bonds4

About N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoro-1-phenylethanimine

N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoro-1-phenylethanimine (PubChem CID 54051290) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoro-1-phenylethanimine.

Molecular Properties

Compound NameN-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoro-1-phenylethanimine
PubChem CID54051290
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC NameN-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoro-1-phenylethanimine
SMILESFC(F)(F)C(=NOCC1OCCO1)c1ccccc1
InChIInChI=1S/C12H12F3NO3/c13-12(14,15)11(9-4-2-1-3-5-9)16-19-8-10-17-6-7-18-10/h1-5,10H,6-8H2
InChIKeyLTAXKDMBDOACER-UHFFFAOYSA-N
XLogP2.34
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoro-1-phenylethanimine?
The IUPAC name of N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoro-1-phenylethanimine (CID 54051290) is N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoro-1-phenylethanimine.
What is the SMILES notation for N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoro-1-phenylethanimine?
The canonical SMILES for N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoro-1-phenylethanimine is FC(F)(F)C(=NOCC1OCCO1)c1ccccc1.
What is the InChIKey of N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoro-1-phenylethanimine?
The InChIKey is LTAXKDMBDOACER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c13-12(14,15)11(9-4-2-1-3-5-9)16-19-8-10-17-6-7-18-10/h1-5,10H,6-8H2.
What are the key properties of N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoro-1-phenylethanimine?
N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoro-1-phenylethanimine has a molecular weight of 275.23 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dioxolan-2-ylmethoxy)-2,2,2-trifluoro-1-phenylethanimine is sourced from PubChem (CID 54051290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).