fluoro 3-ethyl-2-fluorobenzenecarboximidate

C9H9F2NO — CID 21283766

IUPACfluoro 3-ethyl-2-fluorobenzenecarboximidate
SMILES[H]/N=C(\OF)c1cccc(CC)c1F
InChIInChI=1S/C9H9F2NO/c1-2-6-4-3-5-7(8(6)10)9(12)13-11/h3-5,12H,2H2,1H3/b12-9-
InChIKeyGVVFZHQHEWJVTQ-XFXZXTDPSA-N
MW185.17 g/mol
LogP2.61
Rot. Bonds2

About fluoro 3-ethyl-2-fluorobenzenecarboximidate

fluoro 3-ethyl-2-fluorobenzenecarboximidate (PubChem CID 21283766) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is fluoro 3-ethyl-2-fluorobenzenecarboximidate.

Molecular Properties

Compound Namefluoro 3-ethyl-2-fluorobenzenecarboximidate
PubChem CID21283766
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Namefluoro 3-ethyl-2-fluorobenzenecarboximidate
SMILES[H]/N=C(\OF)c1cccc(CC)c1F
InChIInChI=1S/C9H9F2NO/c1-2-6-4-3-5-7(8(6)10)9(12)13-11/h3-5,12H,2H2,1H3/b12-9-
InChIKeyGVVFZHQHEWJVTQ-XFXZXTDPSA-N
XLogP2.61
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 52.61
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 fluoro 3-ethyl-2-fluorobenzenecarboximidate?
The IUPAC name of fluoro 3-ethyl-2-fluorobenzenecarboximidate (CID 21283766) is fluoro 3-ethyl-2-fluorobenzenecarboximidate.
What is the SMILES notation for fluoro 3-ethyl-2-fluorobenzenecarboximidate?
The canonical SMILES for fluoro 3-ethyl-2-fluorobenzenecarboximidate is [H]/N=C(\OF)c1cccc(CC)c1F.
What is the InChIKey of fluoro 3-ethyl-2-fluorobenzenecarboximidate?
The InChIKey is GVVFZHQHEWJVTQ-XFXZXTDPSA-N. The full InChI is InChI=1S/C9H9F2NO/c1-2-6-4-3-5-7(8(6)10)9(12)13-11/h3-5,12H,2H2,1H3/b12-9-.
What are the key properties of fluoro 3-ethyl-2-fluorobenzenecarboximidate?
fluoro 3-ethyl-2-fluorobenzenecarboximidate has a molecular weight of 185.17 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 3-ethyl-2-fluorobenzenecarboximidate is sourced from PubChem (CID 21283766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).