ethyl 2-ethyl-4-fluorobenzenecarboximidate

C11H14FNO — CID 162715123

IUPACethyl 2-ethyl-4-fluorobenzenecarboximidate
SMILES[H]/N=C(\OCC)c1ccc(F)cc1CC
InChIInChI=1S/C11H14FNO/c1-3-8-7-9(12)5-6-10(8)11(13)14-4-2/h5-7,13H,3-4H2,1-2H3/b13-11-
InChIKeyDXTJBVYXNORBFJ-QBFSEMIESA-N
MW195.24 g/mol
LogP2.75
Rot. Bonds3

About ethyl 2-ethyl-4-fluorobenzenecarboximidate

ethyl 2-ethyl-4-fluorobenzenecarboximidate (PubChem CID 162715123) has the molecular formula C11H14FNO and a molecular weight of 195.24 g/mol. Its IUPAC name is ethyl 2-ethyl-4-fluorobenzenecarboximidate.

Molecular Properties

Compound Nameethyl 2-ethyl-4-fluorobenzenecarboximidate
PubChem CID162715123
Molecular FormulaC11H14FNO
Molecular Weight195.24 g/mol
Exact Mass195.11
IUPAC Nameethyl 2-ethyl-4-fluorobenzenecarboximidate
SMILES[H]/N=C(\OCC)c1ccc(F)cc1CC
InChIInChI=1S/C11H14FNO/c1-3-8-7-9(12)5-6-10(8)11(13)14-4-2/h5-7,13H,3-4H2,1-2H3/b13-11-
InChIKeyDXTJBVYXNORBFJ-QBFSEMIESA-N
XLogP2.75
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.75
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 2-ethyl-4-fluorobenzenecarboximidate?
The IUPAC name of ethyl 2-ethyl-4-fluorobenzenecarboximidate (CID 162715123) is ethyl 2-ethyl-4-fluorobenzenecarboximidate.
What is the SMILES notation for ethyl 2-ethyl-4-fluorobenzenecarboximidate?
The canonical SMILES for ethyl 2-ethyl-4-fluorobenzenecarboximidate is [H]/N=C(\OCC)c1ccc(F)cc1CC.
What is the InChIKey of ethyl 2-ethyl-4-fluorobenzenecarboximidate?
The InChIKey is DXTJBVYXNORBFJ-QBFSEMIESA-N. The full InChI is InChI=1S/C11H14FNO/c1-3-8-7-9(12)5-6-10(8)11(13)14-4-2/h5-7,13H,3-4H2,1-2H3/b13-11-.
What are the key properties of ethyl 2-ethyl-4-fluorobenzenecarboximidate?
ethyl 2-ethyl-4-fluorobenzenecarboximidate has a molecular weight of 195.24 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-4-fluorobenzenecarboximidate is sourced from PubChem (CID 162715123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).