ethyl (2R)-2-(5-fluoro-2-methylphenyl)-2-hydroxyethanimidate

C11H14FNO2 — CID 99645007

IUPACethyl (2R)-2-(5-fluoro-2-methylphenyl)-2-hydroxyethanimidate
SMILES[H]/N=C(\OCC)[C@H](O)c1cc(F)ccc1C
InChIInChI=1S/C11H14FNO2/c1-3-15-11(13)10(14)9-6-8(12)5-4-7(9)2/h4-6,10,13-14H,3H2,1-2H3/b13-11-/t10-/m1/s1
InChIKeyQFHYFFLSAZPIGT-QGDAWOFLSA-N
MW211.24 g/mol
LogP2.18
Rot. Bonds3

About ethyl (2R)-2-(5-fluoro-2-methylphenyl)-2-hydroxyethanimidate

ethyl (2R)-2-(5-fluoro-2-methylphenyl)-2-hydroxyethanimidate (PubChem CID 99645007) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is ethyl (2R)-2-(5-fluoro-2-methylphenyl)-2-hydroxyethanimidate.

Molecular Properties

Compound Nameethyl (2R)-2-(5-fluoro-2-methylphenyl)-2-hydroxyethanimidate
PubChem CID99645007
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Nameethyl (2R)-2-(5-fluoro-2-methylphenyl)-2-hydroxyethanimidate
SMILES[H]/N=C(\OCC)[C@H](O)c1cc(F)ccc1C
InChIInChI=1S/C11H14FNO2/c1-3-15-11(13)10(14)9-6-8(12)5-4-7(9)2/h4-6,10,13-14H,3H2,1-2H3/b13-11-/t10-/m1/s1
InChIKeyQFHYFFLSAZPIGT-QGDAWOFLSA-N
XLogP2.18
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.18
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'}

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Related Compounds

ethyl (2S)-2-(2-ethoxy-5-fluorophenyl)-2-hydroxyethanimidate
CID 92975441
ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate
CID 13091997
ethyl 2-(3-fluoro-2-methoxy-5-methylphenyl)-2-hydroxyethanimidate
CID 13216661
ethyl 4-(5-fluoro-2-methylphenyl)-3,4-dihydroxybutanoate
CID 171896910
(1R,2S)-2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 130864158
2-amino-1-(5-fluoro-2-methylphenyl)propan-1-ol
CID 84659101
1-(5-fluoro-2-methylphenyl)propan-1-amine;hydrochloride
CID 138110336
2-fluoro-1-(5-fluoro-2-methylphenyl)ethanamine
CID 130059756
(1S,2R)-1-amino-1-(5-fluoro-2-methylphenyl)-3-methylbutan-2-ol
CID 171267952
(1R)-1-(5-fluoro-2-methylphenyl)ethane-1,2-diamine;hydrochloride
CID 66517054
2-ethyl-1-(5-fluoro-2-methylphenyl)butane-1,2-diol
CID 103449382
ethyl 2-(4-bromothiophen-3-yl)-2-hydroxyethanimidate
CID 12962617

Frequently Asked Questions

What is the IUPAC name of ethyl (2R)-2-(5-fluoro-2-methylphenyl)-2-hydroxyethanimidate?
The IUPAC name of ethyl (2R)-2-(5-fluoro-2-methylphenyl)-2-hydroxyethanimidate (CID 99645007) is ethyl (2R)-2-(5-fluoro-2-methylphenyl)-2-hydroxyethanimidate.
What is the SMILES notation for ethyl (2R)-2-(5-fluoro-2-methylphenyl)-2-hydroxyethanimidate?
The canonical SMILES for ethyl (2R)-2-(5-fluoro-2-methylphenyl)-2-hydroxyethanimidate is [H]/N=C(\OCC)[C@H](O)c1cc(F)ccc1C.
What is the InChIKey of ethyl (2R)-2-(5-fluoro-2-methylphenyl)-2-hydroxyethanimidate?
The InChIKey is QFHYFFLSAZPIGT-QGDAWOFLSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-3-15-11(13)10(14)9-6-8(12)5-4-7(9)2/h4-6,10,13-14H,3H2,1-2H3/b13-11-/t10-/m1/s1.
What are the key properties of ethyl (2R)-2-(5-fluoro-2-methylphenyl)-2-hydroxyethanimidate?
ethyl (2R)-2-(5-fluoro-2-methylphenyl)-2-hydroxyethanimidate has a molecular weight of 211.24 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R)-2-(5-fluoro-2-methylphenyl)-2-hydroxyethanimidate is sourced from PubChem (CID 99645007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).