ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate

C10H12FNO2 — CID 13091997

IUPACethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate
SMILES[H]/N=C(\OCC)C(O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-2-14-10(12)9(13)7-3-5-8(11)6-4-7/h3-6,9,12-13H,2H2,1H3/b12-10-
InChIKeyIIIRCPOVGMWQKT-BENRWUELSA-N
MW197.21 g/mol
LogP1.87
Rot. Bonds3

About ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate

ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate (PubChem CID 13091997) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate
PubChem CID13091997
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Nameethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate
SMILES[H]/N=C(\OCC)C(O)c1ccc(F)cc1
InChIInChI=1S/C10H12FNO2/c1-2-14-10(12)9(13)7-3-5-8(11)6-4-7/h3-6,9,12-13H,2H2,1H3/b12-10-
InChIKeyIIIRCPOVGMWQKT-BENRWUELSA-N
XLogP1.87
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate 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

ethyl (2R)-2-(5-fluoro-2-methylphenyl)-2-hydroxyethanimidate
CID 99645007
ethyl 3-(4-fluorophenyl)-3-hydroxypropanimidate
CID 121222001
ethyl (2S)-2-(2-ethoxy-5-fluorophenyl)-2-hydroxyethanimidate
CID 92975441
ethyl 2-[(4-fluorophenyl)-hydroxymethyl]-3-iodoprop-2-enoate
CID 72834447
ethyl 2-(2-chloro-6-fluorophenyl)-2-hydroxyethanimidate;hydrochloride
CID 13091979
ethyl 2-(4-fluorophenyl)ethanimidate
CID 11736097
ethyl 2-hydroxy-2-(1,2-thiazol-5-yl)ethanimidate;hydrochloride
CID 21271228
ethyl 2-(3-fluoro-2-methoxy-5-methylphenyl)-2-hydroxyethanimidate
CID 13216661
ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060
ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyethanimidate
CID 12962617
(1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol
CID 157370219

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate?
The IUPAC name of ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate (CID 13091997) is ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate is [H]/N=C(\OCC)C(O)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate?
The InChIKey is IIIRCPOVGMWQKT-BENRWUELSA-N. The full InChI is InChI=1S/C10H12FNO2/c1-2-14-10(12)9(13)7-3-5-8(11)6-4-7/h3-6,9,12-13H,2H2,1H3/b12-10-.
What are the key properties of ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate?
ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate has a molecular weight of 197.21 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate is sourced from PubChem (CID 13091997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).