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

C18H28FNO3 — CID 123703017

IUPAC[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-pentan-2-ylethanimidate
SMILESCCCC(C)/N=C(\C)OC(C)C(OCOC)c1ccccc1F
InChIInChI=1S/C18H28FNO3/c1-6-9-13(2)20-15(4)23-14(3)18(22-12-21-5)16-10-7-8-11-17(16)19/h7-8,10-11,13-14,18H,6,9,12H2,1-5H3/b20-15+
InChIKeyMRKQCHOSZFBQSK-HMMYKYKNSA-N
MW325.42 g/mol
LogP4.50
Rot. Bonds9

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

[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-pentan-2-ylethanimidate (PubChem CID 123703017) has the molecular formula C18H28FNO3 and a molecular weight of 325.42 g/mol. Its IUPAC name is [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-pentan-2-ylethanimidate.

Molecular Properties

Compound Name[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-pentan-2-ylethanimidate
PubChem CID123703017
Molecular FormulaC18H28FNO3
Molecular Weight325.42 g/mol
Exact Mass325.21
IUPAC Name[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-pentan-2-ylethanimidate
SMILESCCCC(C)/N=C(\C)OC(C)C(OCOC)c1ccccc1F
InChIInChI=1S/C18H28FNO3/c1-6-9-13(2)20-15(4)23-14(3)18(22-12-21-5)16-10-7-8-11-17(16)19/h7-8,10-11,13-14,18H,6,9,12H2,1-5H3/b20-15+
InChIKeyMRKQCHOSZFBQSK-HMMYKYKNSA-N
XLogP4.50
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 54.50
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

(4R,5S)-4-Fluoromethyl-4,5-dihydro-2-methyl-5-phenyl-1,3-oxazole
CID 25020817
[(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
[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-propan-2-ylethanimidate
CID 123721990
[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
[(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
2-ethoxy-2,4-dimethoxy-5-phenyl-5H-1,3-oxazole
CID 12341433
(4S,5S)-4-(methoxymethyl)-5-phenyl-2-(prop-2-enoxymethyl)-4,5-dihydro-1,3-oxazole
CID 13397309
(4S,5S)-2-[[(E)-but-2-enoxy]methyl]-4-(methoxymethyl)-5-phenyl-4,5-dihydro-1,3-oxazole
CID 13397311

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-pentan-2-ylethanimidate?
The IUPAC name of [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-pentan-2-ylethanimidate (CID 123703017) is [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-pentan-2-ylethanimidate.
What is the SMILES notation for [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-pentan-2-ylethanimidate?
The canonical SMILES for [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-pentan-2-ylethanimidate is CCCC(C)/N=C(\C)OC(C)C(OCOC)c1ccccc1F.
What is the InChIKey of [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-pentan-2-ylethanimidate?
The InChIKey is MRKQCHOSZFBQSK-HMMYKYKNSA-N. The full InChI is InChI=1S/C18H28FNO3/c1-6-9-13(2)20-15(4)23-14(3)18(22-12-21-5)16-10-7-8-11-17(16)19/h7-8,10-11,13-14,18H,6,9,12H2,1-5H3/b20-15+.
What are the key properties of [1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-pentan-2-ylethanimidate?
[1-(2-fluorophenyl)-1-(methoxymethoxy)propan-2-yl] N-pentan-2-ylethanimidate has a molecular weight of 325.42 g/mol, XLogP of 4.50, 9 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-pentan-2-ylethanimidate is sourced from PubChem (CID 123703017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).