4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide

C15H14F2N2O2 — CID 81264863

IUPAC4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCOc2c(F)cccc2F)cc1
InChIInChI=1S/C15H14F2N2O2/c16-12-2-1-3-13(17)14(12)21-9-8-20-11-6-4-10(5-7-11)15(18)19/h1-7H,8-9H2,(H3,18,19)
InChIKeyVZJHXICHWUTKQP-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.71
Rot. Bonds6

About 4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide

4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide (PubChem CID 81264863) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide.

Molecular Properties

Compound Name4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide
PubChem CID81264863
Molecular FormulaC15H14F2N2O2
Molecular Weight292.29 g/mol
Exact Mass292.10
IUPAC Name4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OCCOc2c(F)cccc2F)cc1
InChIInChI=1S/C15H14F2N2O2/c16-12-2-1-3-13(17)14(12)21-9-8-20-11-6-4-10(5-7-11)15(18)19/h1-7H,8-9H2,(H3,18,19)
InChIKeyVZJHXICHWUTKQP-UHFFFAOYSA-N
XLogP2.71
TPSA68.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide?
The IUPAC name of 4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide (CID 81264863) is 4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide.
What is the SMILES notation for 4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide?
The canonical SMILES for 4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccc(OCCOc2c(F)cccc2F)cc1.
What is the InChIKey of 4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide?
The InChIKey is VZJHXICHWUTKQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c16-12-2-1-3-13(17)14(12)21-9-8-20-11-6-4-10(5-7-11)15(18)19/h1-7H,8-9H2,(H3,18,19).
What are the key properties of 4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide?
4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide has a molecular weight of 292.29 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,6-difluorophenoxy)ethoxy]benzenecarboximidamide is sourced from PubChem (CID 81264863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).