1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine

C13H14F4N2O3 — CID 2420800

IUPAC1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine
SMILESFC(F)Oc1ccc(C=NN2CCOCC2)c(OC(F)F)c1
InChIInChI=1S/C13H14F4N2O3/c14-12(15)21-10-2-1-9(11(7-10)22-13(16)17)8-18-19-3-5-20-6-4-19/h1-2,7-8,12-13H,3-6H2
InChIKeyHCSVACTXHNNTCI-UHFFFAOYSA-N
MW322.26 g/mol
LogP2.56
Rot. Bonds6

About 1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine

1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine (PubChem CID 2420800) has the molecular formula C13H14F4N2O3 and a molecular weight of 322.26 g/mol. Its IUPAC name is 1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine
PubChem CID2420800
Molecular FormulaC13H14F4N2O3
Molecular Weight322.26 g/mol
Exact Mass322.09
IUPAC Name1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine
SMILESFC(F)Oc1ccc(C=NN2CCOCC2)c(OC(F)F)c1
InChIInChI=1S/C13H14F4N2O3/c14-12(15)21-10-2-1-9(11(7-10)22-13(16)17)8-18-19-3-5-20-6-4-19/h1-2,7-8,12-13H,3-6H2
InChIKeyHCSVACTXHNNTCI-UHFFFAOYSA-N
XLogP2.56
TPSA43.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.26
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine?
The IUPAC name of 1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine (CID 2420800) is 1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine.
What is the SMILES notation for 1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine?
The canonical SMILES for 1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine is FC(F)Oc1ccc(C=NN2CCOCC2)c(OC(F)F)c1.
What is the InChIKey of 1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine?
The InChIKey is HCSVACTXHNNTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O3/c14-12(15)21-10-2-1-9(11(7-10)22-13(16)17)8-18-19-3-5-20-6-4-19/h1-2,7-8,12-13H,3-6H2.
What are the key properties of 1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine?
1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine has a molecular weight of 322.26 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine is sourced from PubChem (CID 2420800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).