ethyl 3-(4-fluorophenyl)-3-hydroxypropanimidate

C11H14FNO2 — CID 121222001

IUPACethyl 3-(4-fluorophenyl)-3-hydroxypropanimidate
SMILES[H]/N=C(/CC(O)c1ccc(F)cc1)OCC
InChIInChI=1S/C11H14FNO2/c1-2-15-11(13)7-10(14)8-3-5-9(12)6-4-8/h3-6,10,13-14H,2,7H2,1H3/b13-11-
InChIKeyGHKBVAFAYFNJFU-QBFSEMIESA-N
MW211.24 g/mol
LogP2.26
Rot. Bonds4

About ethyl 3-(4-fluorophenyl)-3-hydroxypropanimidate

ethyl 3-(4-fluorophenyl)-3-hydroxypropanimidate (PubChem CID 121222001) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is ethyl 3-(4-fluorophenyl)-3-hydroxypropanimidate.

Molecular Properties

Compound Nameethyl 3-(4-fluorophenyl)-3-hydroxypropanimidate
PubChem CID121222001
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Nameethyl 3-(4-fluorophenyl)-3-hydroxypropanimidate
SMILES[H]/N=C(/CC(O)c1ccc(F)cc1)OCC
InChIInChI=1S/C11H14FNO2/c1-2-15-11(13)7-10(14)8-3-5-9(12)6-4-8/h3-6,10,13-14H,2,7H2,1H3/b13-11-
InChIKeyGHKBVAFAYFNJFU-QBFSEMIESA-N
XLogP2.26
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 52.26
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 2-(4-fluorophenyl)-2-hydroxyethanimidate
CID 13091997
ethyl 2-(4-fluorophenyl)ethanimidate
CID 11736097
ethyl (Z)-2-[2-(4-fluorophenyl)-2-hydroxyethyl]but-2-enoate
CID 23726231
(4S)-4-(4-fluorophenyl)-4-hydroxybutan-2-one
CID 93049323
(1S)-1-(4-fluorophenyl)-1-hydroxypentan-3-one
CID 174650896
(1S)-1-(4-fluorophenyl)-4-iminopentan-1-ol
CID 157370219
ethyl 3,3-bis(4-fluorophenyl)propanoate
CID 23522917
ethyl (2R)-2-(5-fluoro-2-methylphenyl)-2-hydroxyethanimidate
CID 99645007
ethyl (3S)-3-amino-3-(4-fluorophenyl)propanoate
CID 723060
ethyl (3S)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoate
CID 94425179
(3R)-3-(4-fluorophenyl)-3-hydroxypropanoic acid
CID 89304540
1-(4-fluorophenyl)-2-trimethylsilylethanol
CID 118997274

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-fluorophenyl)-3-hydroxypropanimidate?
The IUPAC name of ethyl 3-(4-fluorophenyl)-3-hydroxypropanimidate (CID 121222001) is ethyl 3-(4-fluorophenyl)-3-hydroxypropanimidate.
What is the SMILES notation for ethyl 3-(4-fluorophenyl)-3-hydroxypropanimidate?
The canonical SMILES for ethyl 3-(4-fluorophenyl)-3-hydroxypropanimidate is [H]/N=C(/CC(O)c1ccc(F)cc1)OCC.
What is the InChIKey of ethyl 3-(4-fluorophenyl)-3-hydroxypropanimidate?
The InChIKey is GHKBVAFAYFNJFU-QBFSEMIESA-N. The full InChI is InChI=1S/C11H14FNO2/c1-2-15-11(13)7-10(14)8-3-5-9(12)6-4-8/h3-6,10,13-14H,2,7H2,1H3/b13-11-.
What are the key properties of ethyl 3-(4-fluorophenyl)-3-hydroxypropanimidate?
ethyl 3-(4-fluorophenyl)-3-hydroxypropanimidate has a molecular weight of 211.24 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-fluorophenyl)-3-hydroxypropanimidate is sourced from PubChem (CID 121222001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).