2-(1-ethylimidazol-2-yl)-6-fluoroaniline

C11H12FN3 — CID 107602831

IUPAC2-(1-ethylimidazol-2-yl)-6-fluoroaniline
SMILESCCn1ccnc1-c1cccc(F)c1N
InChIInChI=1S/C11H12FN3/c1-2-15-7-6-14-11(15)8-4-3-5-9(12)10(8)13/h3-7H,2,13H2,1H3
InChIKeyUHJFLRHHVPSPLG-UHFFFAOYSA-N
MW205.24 g/mol
LogP2.29
Rot. Bonds2

About 2-(1-ethylimidazol-2-yl)-6-fluoroaniline

2-(1-ethylimidazol-2-yl)-6-fluoroaniline (PubChem CID 107602831) has the molecular formula C11H12FN3 and a molecular weight of 205.24 g/mol. Its IUPAC name is 2-(1-ethylimidazol-2-yl)-6-fluoroaniline.

Molecular Properties

Compound Name2-(1-ethylimidazol-2-yl)-6-fluoroaniline
PubChem CID107602831
Molecular FormulaC11H12FN3
Molecular Weight205.24 g/mol
Exact Mass205.10
IUPAC Name2-(1-ethylimidazol-2-yl)-6-fluoroaniline
SMILESCCn1ccnc1-c1cccc(F)c1N
InChIInChI=1S/C11H12FN3/c1-2-15-7-6-14-11(15)8-4-3-5-9(12)10(8)13/h3-7H,2,13H2,1H3
InChIKeyUHJFLRHHVPSPLG-UHFFFAOYSA-N
XLogP2.29
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.24
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylimidazol-2-yl)-6-fluoroaniline?
The IUPAC name of 2-(1-ethylimidazol-2-yl)-6-fluoroaniline (CID 107602831) is 2-(1-ethylimidazol-2-yl)-6-fluoroaniline.
What is the SMILES notation for 2-(1-ethylimidazol-2-yl)-6-fluoroaniline?
The canonical SMILES for 2-(1-ethylimidazol-2-yl)-6-fluoroaniline is CCn1ccnc1-c1cccc(F)c1N.
What is the InChIKey of 2-(1-ethylimidazol-2-yl)-6-fluoroaniline?
The InChIKey is UHJFLRHHVPSPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3/c1-2-15-7-6-14-11(15)8-4-3-5-9(12)10(8)13/h3-7H,2,13H2,1H3.
What are the key properties of 2-(1-ethylimidazol-2-yl)-6-fluoroaniline?
2-(1-ethylimidazol-2-yl)-6-fluoroaniline has a molecular weight of 205.24 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylimidazol-2-yl)-6-fluoroaniline is sourced from PubChem (CID 107602831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).