methyl 4-(3-fluorophenoxy)benzenecarboximidate

C14H12FNO2 — CID 82294589

IUPACmethyl 4-(3-fluorophenoxy)benzenecarboximidate
SMILES[H]/N=C(\OC)c1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C14H12FNO2/c1-17-14(16)10-5-7-12(8-6-10)18-13-4-2-3-11(15)9-13/h2-9,16H,1H3/b16-14-
InChIKeyVJBXRIVUGLXQLU-PEZBUJJGSA-N
MW245.25 g/mol
LogP3.59
Rot. Bonds3

About methyl 4-(3-fluorophenoxy)benzenecarboximidate

methyl 4-(3-fluorophenoxy)benzenecarboximidate (PubChem CID 82294589) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is methyl 4-(3-fluorophenoxy)benzenecarboximidate.

Molecular Properties

Compound Namemethyl 4-(3-fluorophenoxy)benzenecarboximidate
PubChem CID82294589
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Namemethyl 4-(3-fluorophenoxy)benzenecarboximidate
SMILES[H]/N=C(\OC)c1ccc(Oc2cccc(F)c2)cc1
InChIInChI=1S/C14H12FNO2/c1-17-14(16)10-5-7-12(8-6-10)18-13-4-2-3-11(15)9-13/h2-9,16H,1H3/b16-14-
InChIKeyVJBXRIVUGLXQLU-PEZBUJJGSA-N
XLogP3.59
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl 4-(3-chlorophenoxy)benzenecarboximidate
CID 82302479
methyl 4-(4-ethylphenoxy)benzenecarboximidate
CID 95464155
1,4-bis[3-(3-fluorophenoxy)phenoxy]benzene
CID 22338391
methyl 4-(2,4,6-trimethylphenoxy)benzenecarboximidate
CID 82305595
1-fluoro-3-(4-methylsulfanylphenoxy)benzene
CID 138722497
4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide
CID 142594929
N-[4-(3-fluorophenoxy)phenyl]-4-methylsulfinylbenzamide
CID 55978837
1-fluoro-4-[3-[3-[3-[3-(4-fluorophenoxy)phenoxy]phenoxy]phenoxy]phenoxy]benzene
CID 22338364
1-fluoro-3-(3-fluorophenoxy)-5-methylbenzene
CID 54548242
N-(3-fluorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650951
N-[[4-(3-fluorophenoxy)phenyl]methyl]-2-methoxyethanamine
CID 63072700
5-(3-fluorophenoxy)-2-methoxyaniline
CID 166073866

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-fluorophenoxy)benzenecarboximidate?
The IUPAC name of methyl 4-(3-fluorophenoxy)benzenecarboximidate (CID 82294589) is methyl 4-(3-fluorophenoxy)benzenecarboximidate.
What is the SMILES notation for methyl 4-(3-fluorophenoxy)benzenecarboximidate?
The canonical SMILES for methyl 4-(3-fluorophenoxy)benzenecarboximidate is [H]/N=C(\OC)c1ccc(Oc2cccc(F)c2)cc1.
What is the InChIKey of methyl 4-(3-fluorophenoxy)benzenecarboximidate?
The InChIKey is VJBXRIVUGLXQLU-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-17-14(16)10-5-7-12(8-6-10)18-13-4-2-3-11(15)9-13/h2-9,16H,1H3/b16-14-.
What are the key properties of methyl 4-(3-fluorophenoxy)benzenecarboximidate?
methyl 4-(3-fluorophenoxy)benzenecarboximidate has a molecular weight of 245.25 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-fluorophenoxy)benzenecarboximidate is sourced from PubChem (CID 82294589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).