methyl 2-(5-fluoro-2-methoxyphenyl)ethanimidate

C10H12FNO2 — CID 82282026

IUPACmethyl 2-(5-fluoro-2-methoxyphenyl)ethanimidate
SMILES[H]/N=C(/Cc1cc(F)ccc1OC)OC
InChIInChI=1S/C10H12FNO2/c1-13-9-4-3-8(11)5-7(9)6-10(12)14-2/h3-5,12H,6H2,1-2H3/b12-10-
InChIKeyHWBSVUYDDZDGFE-BENRWUELSA-N
MW197.21 g/mol
LogP2.00
Rot. Bonds3

About methyl 2-(5-fluoro-2-methoxyphenyl)ethanimidate

methyl 2-(5-fluoro-2-methoxyphenyl)ethanimidate (PubChem CID 82282026) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is methyl 2-(5-fluoro-2-methoxyphenyl)ethanimidate.

Molecular Properties

Compound Namemethyl 2-(5-fluoro-2-methoxyphenyl)ethanimidate
PubChem CID82282026
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Namemethyl 2-(5-fluoro-2-methoxyphenyl)ethanimidate
SMILES[H]/N=C(/Cc1cc(F)ccc1OC)OC
InChIInChI=1S/C10H12FNO2/c1-13-9-4-3-8(11)5-7(9)6-10(12)14-2/h3-5,12H,6H2,1-2H3/b12-10-
InChIKeyHWBSVUYDDZDGFE-BENRWUELSA-N
XLogP2.00
TPSA42.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 52.00
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

(5-fluoro-2-methoxyphenyl)methanethiol
CID 24688819
(5-fluoro-2-methoxyphenyl)methanamine
CID 18348829
4-fluoro-N-[(5-fluoro-2-methoxyphenyl)methyl]aniline
CID 82131275
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-methylpropan-2-amine
CID 82126804
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylbutanamide
CID 110780143
3-[(5-fluoro-2-methoxyphenyl)methyl-methylamino]propanoic acid
CID 60988210
3-[(5-fluoro-2-methoxyphenyl)methyl]azetidin-3-ol
CID 83688912
N-[(5-fluoro-2-methoxyphenyl)methyl]-2-oxopropanamide
CID 115175593
4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol
CID 82113404
2-[(5-fluoro-2-methoxyphenyl)methylamino]acetonitrile
CID 115130950
1-(5-fluoro-2-methoxyphenyl)-N-methylpropan-2-amine
CID 84733466
2-amino-N-[(5-fluoro-2-methoxyphenyl)methyl]acetamide
CID 82126824

Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-fluoro-2-methoxyphenyl)ethanimidate?
The IUPAC name of methyl 2-(5-fluoro-2-methoxyphenyl)ethanimidate (CID 82282026) is methyl 2-(5-fluoro-2-methoxyphenyl)ethanimidate.
What is the SMILES notation for methyl 2-(5-fluoro-2-methoxyphenyl)ethanimidate?
The canonical SMILES for methyl 2-(5-fluoro-2-methoxyphenyl)ethanimidate is [H]/N=C(/Cc1cc(F)ccc1OC)OC.
What is the InChIKey of methyl 2-(5-fluoro-2-methoxyphenyl)ethanimidate?
The InChIKey is HWBSVUYDDZDGFE-BENRWUELSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-13-9-4-3-8(11)5-7(9)6-10(12)14-2/h3-5,12H,6H2,1-2H3/b12-10-.
What are the key properties of methyl 2-(5-fluoro-2-methoxyphenyl)ethanimidate?
methyl 2-(5-fluoro-2-methoxyphenyl)ethanimidate has a molecular weight of 197.21 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-fluoro-2-methoxyphenyl)ethanimidate is sourced from PubChem (CID 82282026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).