ethyl 2-(2-chloro-6-fluorophenyl)-2-hydroxyethanimidate;hydrochloride

C10H12Cl2FNO2 — CID 13091979

IUPACethyl 2-(2-chloro-6-fluorophenyl)-2-hydroxyethanimidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)C(O)c1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNO2.ClH/c1-2-15-10(13)9(14)8-6(11)4-3-5-7(8)12;/h3-5,9,13-14H,2H2,1H3;1H/b13-10-;
InChIKeyMGKCUCSLQOWNDC-ALUHPYBCSA-N
MW268.11 g/mol
LogP2.95
Rot. Bonds3

About ethyl 2-(2-chloro-6-fluorophenyl)-2-hydroxyethanimidate;hydrochloride

ethyl 2-(2-chloro-6-fluorophenyl)-2-hydroxyethanimidate;hydrochloride (PubChem CID 13091979) has the molecular formula C10H12Cl2FNO2 and a molecular weight of 268.11 g/mol. Its IUPAC name is ethyl 2-(2-chloro-6-fluorophenyl)-2-hydroxyethanimidate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(2-chloro-6-fluorophenyl)-2-hydroxyethanimidate;hydrochloride
PubChem CID13091979
Molecular FormulaC10H12Cl2FNO2
Molecular Weight268.11 g/mol
Exact Mass267.02
IUPAC Nameethyl 2-(2-chloro-6-fluorophenyl)-2-hydroxyethanimidate;hydrochloride
SMILESCl.[H]/N=C(\OCC)C(O)c1c(F)cccc1Cl
InChIInChI=1S/C10H11ClFNO2.ClH/c1-2-15-10(13)9(14)8-6(11)4-3-5-7(8)12;/h3-5,9,13-14H,2H2,1H3;1H/b13-10-;
InChIKeyMGKCUCSLQOWNDC-ALUHPYBCSA-N
XLogP2.95
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.11
LogP ≤ 52.95
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 3-(2-chloro-6-fluorophenyl)-3-hydroxy-2,2-dimethylpropanoate
CID 62397211
ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate
CID 13091997
(1R,2S)-1-amino-1-(2-chloro-6-fluorophenyl)propan-2-ol;hydrochloride
CID 171160070
(1S,2R)-1-amino-1-(2-chloro-6-fluorophenyl)pentan-2-ol
CID 171161505
1-amino-2-(2-chloro-6-fluorophenyl)-5-ethoxypentan-3-ol
CID 65186284
1-(2-chloro-6-fluorophenyl)-2-propoxyethanol
CID 79567112
(1R)-1-(2-chloro-6-fluorophenyl)-3-fluoropropan-1-amine;hydrochloride
CID 171200162
ethyl 2-[3-chloro-2-(difluoromethyl)phenyl]-2-hydroxyacetate
CID 117416044
1-(2-chloro-6-fluorophenyl)ethanamine
CID 53394777
ethyl 2-(2-chloro-6-fluorophenyl)-2-(cyclopropylmethylamino)acetate
CID 54894456
ethyl 3-(2-chloro-6-fluorophenyl)-3-piperidin-1-ylpropanoate
CID 64540330
(2-chloro-6-fluorophenyl)-(2-propoxyphenyl)methanol
CID 104658590

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-chloro-6-fluorophenyl)-2-hydroxyethanimidate;hydrochloride?
The IUPAC name of ethyl 2-(2-chloro-6-fluorophenyl)-2-hydroxyethanimidate;hydrochloride (CID 13091979) is ethyl 2-(2-chloro-6-fluorophenyl)-2-hydroxyethanimidate;hydrochloride.
What is the SMILES notation for ethyl 2-(2-chloro-6-fluorophenyl)-2-hydroxyethanimidate;hydrochloride?
The canonical SMILES for ethyl 2-(2-chloro-6-fluorophenyl)-2-hydroxyethanimidate;hydrochloride is Cl.[H]/N=C(\OCC)C(O)c1c(F)cccc1Cl.
What is the InChIKey of ethyl 2-(2-chloro-6-fluorophenyl)-2-hydroxyethanimidate;hydrochloride?
The InChIKey is MGKCUCSLQOWNDC-ALUHPYBCSA-N. The full InChI is InChI=1S/C10H11ClFNO2.ClH/c1-2-15-10(13)9(14)8-6(11)4-3-5-7(8)12;/h3-5,9,13-14H,2H2,1H3;1H/b13-10-;.
What are the key properties of ethyl 2-(2-chloro-6-fluorophenyl)-2-hydroxyethanimidate;hydrochloride?
ethyl 2-(2-chloro-6-fluorophenyl)-2-hydroxyethanimidate;hydrochloride has a molecular weight of 268.11 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-chloro-6-fluorophenyl)-2-hydroxyethanimidate;hydrochloride is sourced from PubChem (CID 13091979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).