[3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] acetate

C11H12FNO3 — CID 164678652

IUPAC[3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] acetate
SMILESCO/N=C(\C)c1c(F)cccc1OC(C)=O
InChIInChI=1S/C11H12FNO3/c1-7(13-15-3)11-9(12)5-4-6-10(11)16-8(2)14/h4-6H,1-3H3/b13-7+
InChIKeyOPTMNPABQOBBSM-NTUHNPAUSA-N
MW225.22 g/mol
LogP2.12
Rot. Bonds3

About [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] acetate

[3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] acetate (PubChem CID 164678652) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] acetate.

Molecular Properties

Compound Name[3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] acetate
PubChem CID164678652
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name[3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] acetate
SMILESCO/N=C(\C)c1c(F)cccc1OC(C)=O
InChIInChI=1S/C11H12FNO3/c1-7(13-15-3)11-9(12)5-4-6-10(11)16-8(2)14/h4-6H,1-3H3/b13-7+
InChIKeyOPTMNPABQOBBSM-NTUHNPAUSA-N
XLogP2.12
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Ethylphenyl Acetate
CID 9898919
Chroman-4-one oxime
CID 9673039
(4E)-4-(2-methoxybenzylidene)-3-methylisoxazol-5(4H)-one
CID 5386571
2-(4-fluorophenoxy)-1-(4-methoxyphenyl)-1-ethanone O-methyloxime
CID 5523604
(4E)-3-methyl-4-[2-(prop-2-ynyloxy)benzylidene]isoxazol-5(4H)-one
CID 5734131
(4E)-3-methyl-4-(2-propoxybenzylidene)isoxazol-5(4H)-one
CID 24761457
4H-1-Benzopyran-4-one, 2,3-dihydro-, oxime
CID 4486698
3-[(1E)-N-hydroxyethanimidoyl]-2H-chromen-2-one
CID 9568658
[(Z)-1-benzofuran-3-ylideneamino] dodecanoate
CID 118730980
Isoxazol-5(4H)-one, 3-methyl-4-(2-methoxybenzylidene)-
CID 5285610
3-(1-(Hydroxyimino) ethyl)-2h-chromen-2-one
CID 661318
3-(4-methoxyphenyl)isoxazol-5(4H)-one
CID 459101

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] acetate?
The IUPAC name of [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] acetate (CID 164678652) is [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] acetate.
What is the SMILES notation for [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] acetate?
The canonical SMILES for [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] acetate is CO/N=C(\C)c1c(F)cccc1OC(C)=O.
What is the InChIKey of [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] acetate?
The InChIKey is OPTMNPABQOBBSM-NTUHNPAUSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-7(13-15-3)11-9(12)5-4-6-10(11)16-8(2)14/h4-6H,1-3H3/b13-7+.
What are the key properties of [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] acetate?
[3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] acetate has a molecular weight of 225.22 g/mol, XLogP of 2.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-[(E)-N-methoxy-C-methylcarbonimidoyl]phenyl] acetate is sourced from PubChem (CID 164678652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).