ethyl 2-(4-fluorophenyl)ethanimidate

C10H12FNO — CID 11736097

IUPACethyl 2-(4-fluorophenyl)ethanimidate
SMILES[H]/N=C(/Cc1ccc(F)cc1)OCC
InChIInChI=1S/C10H12FNO/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6,12H,2,7H2,1H3/b12-10-
InChIKeyNXDPOCCPJWBKTD-BENRWUELSA-N
MW181.21 g/mol
LogP2.38
Rot. Bonds3

About ethyl 2-(4-fluorophenyl)ethanimidate

ethyl 2-(4-fluorophenyl)ethanimidate (PubChem CID 11736097) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is ethyl 2-(4-fluorophenyl)ethanimidate.

Molecular Properties

Compound Nameethyl 2-(4-fluorophenyl)ethanimidate
PubChem CID11736097
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Nameethyl 2-(4-fluorophenyl)ethanimidate
SMILES[H]/N=C(/Cc1ccc(F)cc1)OCC
InChIInChI=1S/C10H12FNO/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6,12H,2,7H2,1H3/b12-10-
InChIKeyNXDPOCCPJWBKTD-BENRWUELSA-N
XLogP2.38
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.38
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 3-(4-fluorophenyl)-3-hydroxypropanimidate
CID 121222001
ethyl 2-(2-fluorophenyl)ethanimidate;hydrochloride
CID 19906262
ethyl 2-(1H-indol-3-yl)ethanimidate
CID 3261311
2-(4-fluorophenyl)-N,N-dimethylethanimidamide
CID 63182016
ethyl 2-(4-fluorophenyl)-2-hydroxyethanimidate
CID 13091997
ethyl 2-(2-methyl-3-pyridinyl)ethanimidate
CID 19099344
ethyl 2-[(4-fluorophenyl)methyl]buta-2,3-dienoate
CID 11637140
ethyl 2-(2,4-dichlorophenyl)ethanimidate;hydrochloride
CID 12689988
ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-oxopropanoate
CID 159126386
1-O-ethyl 2-O-[5-(4-fluorophenyl)-4-oxopentyl] oxalate
CID 163994694
2-[4-(C-ethoxycarbonimidoyl)phenyl]acetic acid
CID 165357218
2-(4-fluorophenyl)-1-pyridin-4-ylethanimine;methanol
CID 142163104

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluorophenyl)ethanimidate?
The IUPAC name of ethyl 2-(4-fluorophenyl)ethanimidate (CID 11736097) is ethyl 2-(4-fluorophenyl)ethanimidate.
What is the SMILES notation for ethyl 2-(4-fluorophenyl)ethanimidate?
The canonical SMILES for ethyl 2-(4-fluorophenyl)ethanimidate is [H]/N=C(/Cc1ccc(F)cc1)OCC.
What is the InChIKey of ethyl 2-(4-fluorophenyl)ethanimidate?
The InChIKey is NXDPOCCPJWBKTD-BENRWUELSA-N. The full InChI is InChI=1S/C10H12FNO/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6,12H,2,7H2,1H3/b12-10-.
What are the key properties of ethyl 2-(4-fluorophenyl)ethanimidate?
ethyl 2-(4-fluorophenyl)ethanimidate has a molecular weight of 181.21 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluorophenyl)ethanimidate is sourced from PubChem (CID 11736097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).