(Z)-1-(2,3-difluorophenoxy)-N-methoxypropan-2-imine

C10H11F2NO2 — CID 166159422

IUPAC(Z)-1-(2,3-difluorophenoxy)-N-methoxypropan-2-imine
SMILESCO/N=C(/C)COc1cccc(F)c1F
InChIInChI=1S/C10H11F2NO2/c1-7(13-14-2)6-15-9-5-3-4-8(11)10(9)12/h3-5H,6H2,1-2H3/b13-7-
InChIKeyYAVNZUVOHLONIR-QPEQYQDCSA-N
MW215.20 g/mol
LogP2.37
Rot. Bonds4

About (Z)-1-(2,3-difluorophenoxy)-N-methoxypropan-2-imine

(Z)-1-(2,3-difluorophenoxy)-N-methoxypropan-2-imine (PubChem CID 166159422) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is (Z)-1-(2,3-difluorophenoxy)-N-methoxypropan-2-imine.

Molecular Properties

Compound Name(Z)-1-(2,3-difluorophenoxy)-N-methoxypropan-2-imine
PubChem CID166159422
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name(Z)-1-(2,3-difluorophenoxy)-N-methoxypropan-2-imine
SMILESCO/N=C(/C)COc1cccc(F)c1F
InChIInChI=1S/C10H11F2NO2/c1-7(13-14-2)6-15-9-5-3-4-8(11)10(9)12/h3-5H,6H2,1-2H3/b13-7-
InChIKeyYAVNZUVOHLONIR-QPEQYQDCSA-N
XLogP2.37
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Fluorophenetole
CID 68018
2-Fluorophenetole
CID 136291
1-Ethoxy-3-fluorobenzene
CID 136301
1-Butoxy-2,3-Difluorobenzene
CID 2782939
1-Ethoxy-2,3-Difluorobenzene
CID 2782928
1-Fluoro-4-(prop-2-en-1-yloxy)benzene
CID 637342
2-Fluorophenyl allyl ether
CID 637366
N-[3-(4-phenoxyphenoxy)propoxy]propan-2-imine
CID 14562488
2-(4-Fluorophenoxy)acetonitrile
CID 2783058
Phenyl acetimidate
CID 290510
1-Butoxy-2-fluorobenzene
CID 12656101
(E)-N-ethoxy-2-[4-(4-fluorophenoxy)phenoxy]ethanimine
CID 76308804

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,3-difluorophenoxy)-N-methoxypropan-2-imine?
The IUPAC name of (Z)-1-(2,3-difluorophenoxy)-N-methoxypropan-2-imine (CID 166159422) is (Z)-1-(2,3-difluorophenoxy)-N-methoxypropan-2-imine.
What is the SMILES notation for (Z)-1-(2,3-difluorophenoxy)-N-methoxypropan-2-imine?
The canonical SMILES for (Z)-1-(2,3-difluorophenoxy)-N-methoxypropan-2-imine is CO/N=C(/C)COc1cccc(F)c1F.
What is the InChIKey of (Z)-1-(2,3-difluorophenoxy)-N-methoxypropan-2-imine?
The InChIKey is YAVNZUVOHLONIR-QPEQYQDCSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-7(13-14-2)6-15-9-5-3-4-8(11)10(9)12/h3-5H,6H2,1-2H3/b13-7-.
What are the key properties of (Z)-1-(2,3-difluorophenoxy)-N-methoxypropan-2-imine?
(Z)-1-(2,3-difluorophenoxy)-N-methoxypropan-2-imine has a molecular weight of 215.20 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,3-difluorophenoxy)-N-methoxypropan-2-imine is sourced from PubChem (CID 166159422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).