ethylamino 2-fluorobenzoate

C9H10FNO2 — CID 91457651

IUPACethylamino 2-fluorobenzoate
SMILESCCNOC(=O)c1ccccc1F
InChIInChI=1S/C9H10FNO2/c1-2-11-13-9(12)7-5-3-4-6-8(7)10/h3-6,11H,2H2,1H3
InChIKeyHZIGIDFEDUBHJH-UHFFFAOYSA-N
MW183.18 g/mol
LogP1.51
Rot. Bonds3

About ethylamino 2-fluorobenzoate

ethylamino 2-fluorobenzoate (PubChem CID 91457651) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is ethylamino 2-fluorobenzoate.

Molecular Properties

Compound Nameethylamino 2-fluorobenzoate
PubChem CID91457651
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Nameethylamino 2-fluorobenzoate
SMILESCCNOC(=O)c1ccccc1F
InChIInChI=1S/C9H10FNO2/c1-2-11-13-9(12)7-5-3-4-6-8(7)10/h3-6,11H,2H2,1H3
InChIKeyHZIGIDFEDUBHJH-UHFFFAOYSA-N
XLogP1.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethylamino 2-fluorobenzoate?
The IUPAC name of ethylamino 2-fluorobenzoate (CID 91457651) is ethylamino 2-fluorobenzoate.
What is the SMILES notation for ethylamino 2-fluorobenzoate?
The canonical SMILES for ethylamino 2-fluorobenzoate is CCNOC(=O)c1ccccc1F.
What is the InChIKey of ethylamino 2-fluorobenzoate?
The InChIKey is HZIGIDFEDUBHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c1-2-11-13-9(12)7-5-3-4-6-8(7)10/h3-6,11H,2H2,1H3.
What are the key properties of ethylamino 2-fluorobenzoate?
ethylamino 2-fluorobenzoate has a molecular weight of 183.18 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethylamino 2-fluorobenzoate is sourced from PubChem (CID 91457651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).