ethyl 2-(2-fluorophenyl)ethanimidate;hydrochloride

C10H13ClFNO — CID 19906262

IUPACethyl 2-(2-fluorophenyl)ethanimidate;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccccc1F)OCC
InChIInChI=1S/C10H12FNO.ClH/c1-2-13-10(12)7-8-5-3-4-6-9(8)11;/h3-6,12H,2,7H2,1H3;1H/b12-10-;
InChIKeyDJJMVQYPMRSBFI-BBJSDXRSSA-N
MW217.67 g/mol
LogP2.80
Rot. Bonds3

About ethyl 2-(2-fluorophenyl)ethanimidate;hydrochloride

ethyl 2-(2-fluorophenyl)ethanimidate;hydrochloride (PubChem CID 19906262) has the molecular formula C10H13ClFNO and a molecular weight of 217.67 g/mol. Its IUPAC name is ethyl 2-(2-fluorophenyl)ethanimidate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-(2-fluorophenyl)ethanimidate;hydrochloride
PubChem CID19906262
Molecular FormulaC10H13ClFNO
Molecular Weight217.67 g/mol
Exact Mass217.07
IUPAC Nameethyl 2-(2-fluorophenyl)ethanimidate;hydrochloride
SMILESCl.[H]/N=C(/Cc1ccccc1F)OCC
InChIInChI=1S/C10H12FNO.ClH/c1-2-13-10(12)7-8-5-3-4-6-9(8)11;/h3-6,12H,2,7H2,1H3;1H/b12-10-;
InChIKeyDJJMVQYPMRSBFI-BBJSDXRSSA-N
XLogP2.80
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.67
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-(4-fluorophenyl)ethanimidate
CID 11736097
ethyl 4-(2-fluorophenyl)-2,3-dioxobutanoate
CID 67469685
ethyl 2-thiophen-3-ylethanimidate;hydrochloride
CID 23355011
1,2-bis(2-fluorophenyl)ethanimine
CID 140970160
ethyl 3-(4-fluorophenyl)-3-hydroxypropanimidate
CID 121222001
ethyl (E)-4-(2-fluorophenyl)but-2-enoate
CID 67059339
carbonic acid;1-ethyl-2-fluorobenzene
CID 174964119
bis(2-[2-(2-fluorophenyl)ethoxy]ethanimidamide);dihydrochloride
CID 67100780
2-(2-fluorophenyl)acetamide;hydrochloride
CID 68904503
ethyl 2-[(2-fluorophenyl)methyl]-1-methylimidazole-4-carboxylate;2-[(2-fluorophenyl)methyl]-1-methylimidazole-4-carboximidamide;hydrochloride
CID 159425645
2-[(2-fluorophenyl)methoxy]pyridine-3-carboximidamide
CID 63937561
ethyl 3-[(2-fluorophenyl)methylamino]propanoate;hydrochloride
CID 126479427

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-fluorophenyl)ethanimidate;hydrochloride?
The IUPAC name of ethyl 2-(2-fluorophenyl)ethanimidate;hydrochloride (CID 19906262) is ethyl 2-(2-fluorophenyl)ethanimidate;hydrochloride.
What is the SMILES notation for ethyl 2-(2-fluorophenyl)ethanimidate;hydrochloride?
The canonical SMILES for ethyl 2-(2-fluorophenyl)ethanimidate;hydrochloride is Cl.[H]/N=C(/Cc1ccccc1F)OCC.
What is the InChIKey of ethyl 2-(2-fluorophenyl)ethanimidate;hydrochloride?
The InChIKey is DJJMVQYPMRSBFI-BBJSDXRSSA-N. The full InChI is InChI=1S/C10H12FNO.ClH/c1-2-13-10(12)7-8-5-3-4-6-9(8)11;/h3-6,12H,2,7H2,1H3;1H/b12-10-;.
What are the key properties of ethyl 2-(2-fluorophenyl)ethanimidate;hydrochloride?
ethyl 2-(2-fluorophenyl)ethanimidate;hydrochloride has a molecular weight of 217.67 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-fluorophenyl)ethanimidate;hydrochloride is sourced from PubChem (CID 19906262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).