(2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one

C18H16F3NO3 — CID 59967532

IUPAC(2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one
SMILESCO/N=C(\C)C(=O)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H16F3NO3/c1-12(22-24-2)17(23)14-6-8-16(9-7-14)25-11-13-4-3-5-15(10-13)18(19,20)21/h3-10H,11H2,1-2H3/b22-12+
InChIKeyYBOWQXRUAMJHDX-WSDLNYQXSA-N
MW351.32 g/mol
LogP4.49
Rot. Bonds6

About (2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one

(2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one (PubChem CID 59967532) has the molecular formula C18H16F3NO3 and a molecular weight of 351.32 g/mol. Its IUPAC name is (2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one.

Molecular Properties

Compound Name(2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one
PubChem CID59967532
Molecular FormulaC18H16F3NO3
Molecular Weight351.32 g/mol
Exact Mass351.11
IUPAC Name(2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one
SMILESCO/N=C(\C)C(=O)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H16F3NO3/c1-12(22-24-2)17(23)14-6-8-16(9-7-14)25-11-13-4-3-5-15(10-13)18(19,20)21/h3-10H,11H2,1-2H3/b22-12+
InChIKeyYBOWQXRUAMJHDX-WSDLNYQXSA-N
XLogP4.49
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.32
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 112788880
1-N-ethoxy-2-N-propoxy-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propane-1,2-diimine
CID 20684469
1-fluoro-4-[[3-(trifluoromethyl)phenyl]methoxy]benzene
CID 60627887
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol
CID 15059584
5-[[3-(trifluoromethyl)phenyl]methoxy]pyridine-3-carboxylic acid
CID 63851691
4-phenylmethoxy-N'-[3-(trifluoromethyl)phenyl]benzohydrazide
CID 55343538
2-methyl-2-[2-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]ethylamino]propanamide
CID 166625545
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenoxy]propan-1-amine;hydrochloride
CID 139814631
2-(2-methoxyethylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]acetamide;hydrochloride
CID 119773689
prop-2-enyl N-methyl-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]carbamate
CID 141148449
2-methyl-3-(methylamino)-N-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propanamide;hydrochloride
CID 119773685
methyl 3-methoxy-2-[2-[[[(1E)-1-prop-2-ynoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-2-ylidene]amino]oxymethyl]phenyl]prop-2-enoate
CID 172938924

Frequently Asked Questions

What is the IUPAC name of (2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one?
The IUPAC name of (2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one (CID 59967532) is (2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one.
What is the SMILES notation for (2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one?
The canonical SMILES for (2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one is CO/N=C(\C)C(=O)c1ccc(OCc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of (2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one?
The InChIKey is YBOWQXRUAMJHDX-WSDLNYQXSA-N. The full InChI is InChI=1S/C18H16F3NO3/c1-12(22-24-2)17(23)14-6-8-16(9-7-14)25-11-13-4-3-5-15(10-13)18(19,20)21/h3-10H,11H2,1-2H3/b22-12+.
What are the key properties of (2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one?
(2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one has a molecular weight of 351.32 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-methoxyimino-1-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-one is sourced from PubChem (CID 59967532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).