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

C13H14F4N2O3 — CID 6905058

IUPAC(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine
SMILESFC(F)Oc1ccc(/C=N/N2CCOCC2)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/b18-8+
InChIKeyHCSVACTXHNNTCI-QGMBQPNBSA-N
MW322.26 g/mol
LogP2.56
Rot. Bonds6

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

(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine (PubChem CID 6905058) has the molecular formula C13H14F4N2O3 and a molecular weight of 322.26 g/mol. Its IUPAC name is (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine.

Molecular Properties

Compound Name(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine
PubChem CID6905058
Molecular FormulaC13H14F4N2O3
Molecular Weight322.26 g/mol
Exact Mass322.09
IUPAC Name(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine
SMILESFC(F)Oc1ccc(/C=N/N2CCOCC2)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/b18-8+
InChIKeyHCSVACTXHNNTCI-QGMBQPNBSA-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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Related Compounds

(6E)-3-methoxy-6-[1-(morpholin-4-ylamino)ethylidene]cyclohexa-2,4-dien-1-one
CID 135691135
N-{3-[(4-fluorophenoxy)methyl]-4-methoxybenzylidene}-4-morpholinamine
CID 6894230
(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine
CID 6903285
(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-(4-methylpiperazin-1-yl)methanimine
CID 6902503
1-[3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl]-N-morpholin-4-ylmethanimine
CID 874972
1-[2,4-bis(difluoromethoxy)phenyl]-N-(4-methylpiperazin-1-yl)methanimine
CID 2362243
1-[2,4-bis(difluoromethoxy)phenyl]-N-piperidin-1-ylmethanimine
CID 2379009
1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine
CID 2420800
(E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-[(E)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine
CID 6905559
5-Methoxy-2-[(2-morpholin-4-ylethylimino)methyl]phenol
CID 136635944
1-[2,4-bis(difluoromethoxy)phenyl]-N-[[2,4-bis(difluoromethoxy)phenyl]methylideneamino]methanimine
CID 2436504
1-[2,4-bis(difluoromethoxy)phenyl]-N-(2,6-dimethylpiperidin-1-yl)methanimine
CID 4829833

Frequently Asked Questions

What is the IUPAC name of (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine?
The IUPAC name of (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine (CID 6905058) is (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine.
What is the SMILES notation for (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine?
The canonical SMILES for (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine is FC(F)Oc1ccc(/C=N/N2CCOCC2)c(OC(F)F)c1.
What is the InChIKey of (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine?
The InChIKey is HCSVACTXHNNTCI-QGMBQPNBSA-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/b18-8+.
What are the key properties of (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine?
(E)-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 (E)-1-[2,4-bis(difluoromethoxy)phenyl]-N-morpholin-4-ylmethanimine is sourced from PubChem (CID 6905058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).