1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine

C50H60F6N8O7S — CID 173276114

IUPAC1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESCON=C(C)c1ccc(C(F)(F)F)cc1.CON=C(C)c1cccc(C(F)(F)F)c1.CON=C(C)c1cccn1C.CON=C(C)c1ccco1.CON=C(C)c1ccncc1.CON=C(C)c1ccsc1
InChIInChI=1S/2C10H10F3NO.C8H12N2O.C8H10N2O.C7H9NO2.C7H9NOS/c1-7(14-15-2)8-3-5-9(6-4-8)10(11,12)13;1-7(14-15-2)8-4-3-5-9(6-8)10(11,12)13;1-7(9-11-3)8-5-4-6-10(8)2;1-7(10-11-2)8-3-5-9-6-4-8;1-6(8-9-2)7-4-3-5-10-7;1-6(8-9-2)7-3-4-10-5-7/h2*3-6H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyFZMHXXGUFPTUET-UHFFFAOYSA-N
MW1031.13 g/mol
LogP12.77
Rot. Bonds12

About 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine

1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine (PubChem CID 173276114) has the molecular formula C50H60F6N8O7S and a molecular weight of 1031.13 g/mol. Its IUPAC name is 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine
PubChem CID173276114
Molecular FormulaC50H60F6N8O7S
Molecular Weight1031.13 g/mol
Exact Mass1030.42
IUPAC Name1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESCON=C(C)c1ccc(C(F)(F)F)cc1.CON=C(C)c1cccc(C(F)(F)F)c1.CON=C(C)c1cccn1C.CON=C(C)c1ccco1.CON=C(C)c1ccncc1.CON=C(C)c1ccsc1
InChIInChI=1S/2C10H10F3NO.C8H12N2O.C8H10N2O.C7H9NO2.C7H9NOS/c1-7(14-15-2)8-3-5-9(6-4-8)10(11,12)13;1-7(14-15-2)8-4-3-5-9(6-8)10(11,12)13;1-7(9-11-3)8-5-4-6-10(8)2;1-7(10-11-2)8-3-5-9-6-4-8;1-6(8-9-2)7-4-3-5-10-7;1-6(8-9-2)7-3-4-10-5-7/h2*3-6H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;2*3-5H,1-2H3
InChIKeyFZMHXXGUFPTUET-UHFFFAOYSA-N
XLogP12.77
TPSA160.50 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001031.13
LogP ≤ 512.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine (CID 173276114) is 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine is CON=C(C)c1ccc(C(F)(F)F)cc1.CON=C(C)c1cccc(C(F)(F)F)c1.CON=C(C)c1cccn1C.CON=C(C)c1ccco1.CON=C(C)c1ccncc1.CON=C(C)c1ccsc1.
What is the InChIKey of 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is FZMHXXGUFPTUET-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H10F3NO.C8H12N2O.C8H10N2O.C7H9NO2.C7H9NOS/c1-7(14-15-2)8-3-5-9(6-4-8)10(11,12)13;1-7(14-15-2)8-4-3-5-9(6-8)10(11,12)13;1-7(9-11-3)8-5-4-6-10(8)2;1-7(10-11-2)8-3-5-9-6-4-8;1-6(8-9-2)7-4-3-5-10-7;1-6(8-9-2)7-3-4-10-5-7/h2*3-6H,1-2H3;4-6H,1-3H3;3-6H,1-2H3;2*3-5H,1-2H3.
What are the key properties of 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine?
1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 1031.13 g/mol, XLogP of 12.77, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-N-methoxyethanimine;N-methoxy-1-(1-methylpyrrol-2-yl)ethanimine;N-methoxy-1-pyridin-4-ylethanimine;N-methoxy-1-thiophen-3-ylethanimine;N-methoxy-1-[3-(trifluoromethyl)phenyl]ethanimine;N-methoxy-1-[4-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 173276114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).