ethyl 4-fluoro-3-methylbenzenecarboximidate

C10H12FNO — CID 61318204

IUPACethyl 4-fluoro-3-methylbenzenecarboximidate
SMILES[H]/N=C(\OCC)c1ccc(F)c(C)c1
InChIInChI=1S/C10H12FNO/c1-3-13-10(12)8-4-5-9(11)7(2)6-8/h4-6,12H,3H2,1-2H3/b12-10-
InChIKeyILRUTQOFFLRGDS-BENRWUELSA-N
MW181.21 g/mol
LogP2.50
Rot. Bonds2

About ethyl 4-fluoro-3-methylbenzenecarboximidate

ethyl 4-fluoro-3-methylbenzenecarboximidate (PubChem CID 61318204) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is ethyl 4-fluoro-3-methylbenzenecarboximidate.

Molecular Properties

Compound Nameethyl 4-fluoro-3-methylbenzenecarboximidate
PubChem CID61318204
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Nameethyl 4-fluoro-3-methylbenzenecarboximidate
SMILES[H]/N=C(\OCC)c1ccc(F)c(C)c1
InChIInChI=1S/C10H12FNO/c1-3-13-10(12)8-4-5-9(11)7(2)6-8/h4-6,12H,3H2,1-2H3/b12-10-
InChIKeyILRUTQOFFLRGDS-BENRWUELSA-N
XLogP2.50
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.50
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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Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-3-methylbenzenecarboximidate?
The IUPAC name of ethyl 4-fluoro-3-methylbenzenecarboximidate (CID 61318204) is ethyl 4-fluoro-3-methylbenzenecarboximidate.
What is the SMILES notation for ethyl 4-fluoro-3-methylbenzenecarboximidate?
The canonical SMILES for ethyl 4-fluoro-3-methylbenzenecarboximidate is [H]/N=C(\OCC)c1ccc(F)c(C)c1.
What is the InChIKey of ethyl 4-fluoro-3-methylbenzenecarboximidate?
The InChIKey is ILRUTQOFFLRGDS-BENRWUELSA-N. The full InChI is InChI=1S/C10H12FNO/c1-3-13-10(12)8-4-5-9(11)7(2)6-8/h4-6,12H,3H2,1-2H3/b12-10-.
What are the key properties of ethyl 4-fluoro-3-methylbenzenecarboximidate?
ethyl 4-fluoro-3-methylbenzenecarboximidate has a molecular weight of 181.21 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-3-methylbenzenecarboximidate is sourced from PubChem (CID 61318204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).