[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate

C16H24FNO3 — CID 123721990

IUPAC[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate
SMILESCOCOC(c1ccccc1F)C(C)O/C(C)=N/C(C)C
InChIInChI=1S/C16H24FNO3/c1-11(2)18-13(4)21-12(3)16(20-10-19-5)14-8-6-7-9-15(14)17/h6-9,11-12,16H,10H2,1-5H3/b18-13+
InChIKeyADLUHQPEAVZIRO-QGOAFFKASA-N
MW297.37 g/mol
LogP3.72
Rot. Bonds7

About [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate

[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate (PubChem CID 123721990) has the molecular formula C16H24FNO3 and a molecular weight of 297.37 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate
PubChem CID123721990
Molecular FormulaC16H24FNO3
Molecular Weight297.37 g/mol
Exact Mass297.17
IUPAC Name[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate
SMILESCOCOC(c1ccccc1F)C(C)O/C(C)=N/C(C)C
InChIInChI=1S/C16H24FNO3/c1-11(2)18-13(4)21-12(3)16(20-10-19-5)14-8-6-7-9-15(14)17/h6-9,11-12,16H,10H2,1-5H3/b18-13+
InChIKeyADLUHQPEAVZIRO-QGOAFFKASA-N
XLogP3.72
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.37
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[(E,2S,3R)-6-methyl-2-(phenylmethoxymethoxy)hept-4-en-3-yl] 2,2,2-trifluoroethanimidate
CID 10760915
[(E,2R,3S)-6-methyl-2-(phenylmethoxymethoxy)hept-4-en-3-yl] 2,2,2-trifluoroethanimidate
CID 10618446
propan-2-yl 4-fluoro-N-propan-2-ylbenzenecarboximidate
CID 59015028
N-[[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethyl]ethanamine
CID 123656424
[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-pentan-2-ylethanimidate
CID 123703017
[1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(3-methylcyclopentyl)ethanimidate
CID 123822781
[1-(2-fluorophenyl)-1-methoxypropan-2-yl] N-(4-methylhexan-2-yl)ethanimidate
CID 123928943
(2S,5S)-2-(4-fluorophenyl)-5-[(2E,4E)-hexa-2,4-dienoxy]-1,4-dioxane
CID 139860405
[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N'-cyclopropylcarbamimidate
CID 144705808
4-[1-(4-Fluorophenyl)ethoxymethyl]-2-methyl-4,5-dihydro-1,3-oxazole
CID 162240467
N-[[(1S,2S)-1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl]oxymethyl]ethanamine
CID 163921700
2-ethoxy-2,4-dimethoxy-5-phenyl-5H-1,3-oxazole
CID 12341433

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate?
The IUPAC name of [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate (CID 123721990) is [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate.
What is the SMILES notation for [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate?
The canonical SMILES for [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate is COCOC(c1ccccc1F)C(C)O/C(C)=N/C(C)C.
What is the InChIKey of [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate?
The InChIKey is ADLUHQPEAVZIRO-QGOAFFKASA-N. The full InChI is InChI=1S/C16H24FNO3/c1-11(2)18-13(4)21-12(3)16(20-10-19-5)14-8-6-7-9-15(14)17/h6-9,11-12,16H,10H2,1-5H3/b18-13+.
What are the key properties of [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate?
[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate has a molecular weight of 297.37 g/mol, XLogP of 3.72, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate is sourced from PubChem (CID 123721990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).