1-(2-fluorophenyl)-2-(1-methyliminopropan-2-yloxy)ethanone

C12H14FNO2 — CID 123344335

IUPAC1-(2-fluorophenyl)-2-(1-methyliminopropan-2-yloxy)ethanone
SMILESC/N=C/C(C)OCC(=O)c1ccccc1F
InChIInChI=1S/C12H14FNO2/c1-9(7-14-2)16-8-12(15)10-5-3-4-6-11(10)13/h3-7,9H,8H2,1-2H3/b14-7+
InChIKeyQDUGADNJCZXIQN-VGOFMYFVSA-N
MW223.25 g/mol
LogP2.11
Rot. Bonds5

About 1-(2-fluorophenyl)-2-(1-methyliminopropan-2-yloxy)ethanone

1-(2-fluorophenyl)-2-(1-methyliminopropan-2-yloxy)ethanone (PubChem CID 123344335) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-(1-methyliminopropan-2-yloxy)ethanone.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-(1-methyliminopropan-2-yloxy)ethanone
PubChem CID123344335
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name1-(2-fluorophenyl)-2-(1-methyliminopropan-2-yloxy)ethanone
SMILESC/N=C/C(C)OCC(=O)c1ccccc1F
InChIInChI=1S/C12H14FNO2/c1-9(7-14-2)16-8-12(15)10-5-3-4-6-11(10)13/h3-7,9H,8H2,1-2H3/b14-7+
InChIKeyQDUGADNJCZXIQN-VGOFMYFVSA-N
XLogP2.11
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-(1-methyliminopropan-2-yloxy)ethanone?
The IUPAC name of 1-(2-fluorophenyl)-2-(1-methyliminopropan-2-yloxy)ethanone (CID 123344335) is 1-(2-fluorophenyl)-2-(1-methyliminopropan-2-yloxy)ethanone.
What is the SMILES notation for 1-(2-fluorophenyl)-2-(1-methyliminopropan-2-yloxy)ethanone?
The canonical SMILES for 1-(2-fluorophenyl)-2-(1-methyliminopropan-2-yloxy)ethanone is C/N=C/C(C)OCC(=O)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-2-(1-methyliminopropan-2-yloxy)ethanone?
The InChIKey is QDUGADNJCZXIQN-VGOFMYFVSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-9(7-14-2)16-8-12(15)10-5-3-4-6-11(10)13/h3-7,9H,8H2,1-2H3/b14-7+.
What are the key properties of 1-(2-fluorophenyl)-2-(1-methyliminopropan-2-yloxy)ethanone?
1-(2-fluorophenyl)-2-(1-methyliminopropan-2-yloxy)ethanone has a molecular weight of 223.25 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-(1-methyliminopropan-2-yloxy)ethanone is sourced from PubChem (CID 123344335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).