2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide

C13H16F2N2O2 — CID 54203855

IUPAC2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide
SMILES[H]/N=C(\N)C(OC1CCCCO1)c1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O2/c14-8-4-5-9(10(15)7-8)12(13(16)17)19-11-3-1-2-6-18-11/h4-5,7,11-12H,1-3,6H2,(H3,16,17)
InChIKeyPRDCRGVDOGTRSI-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.49
Rot. Bonds4

About 2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide

2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide (PubChem CID 54203855) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide
PubChem CID54203855
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide
SMILES[H]/N=C(\N)C(OC1CCCCO1)c1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O2/c14-8-4-5-9(10(15)7-8)12(13(16)17)19-11-3-1-2-6-18-11/h4-5,7,11-12H,1-3,6H2,(H3,16,17)
InChIKeyPRDCRGVDOGTRSI-UHFFFAOYSA-N
XLogP2.49
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide?
The IUPAC name of 2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide (CID 54203855) is 2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide is [H]/N=C(\N)C(OC1CCCCO1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide?
The InChIKey is PRDCRGVDOGTRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-8-4-5-9(10(15)7-8)12(13(16)17)19-11-3-1-2-6-18-11/h4-5,7,11-12H,1-3,6H2,(H3,16,17).
What are the key properties of 2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide?
2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide has a molecular weight of 270.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-(oxan-2-yloxy)ethanimidamide is sourced from PubChem (CID 54203855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).