2-(1-fluoroethyl)-1-benzofuran-4-amine

C10H10FNO — CID 84656832

IUPAC2-(1-fluoroethyl)-1-benzofuran-4-amine
SMILESCC(F)c1cc2c(N)cccc2o1
InChIInChI=1S/C10H10FNO/c1-6(11)10-5-7-8(12)3-2-4-9(7)13-10/h2-6H,12H2,1H3
InChIKeyHEQUAUHENSMZTQ-UHFFFAOYSA-N
MW179.19 g/mol
LogP3.05
Rot. Bonds1

About 2-(1-fluoroethyl)-1-benzofuran-4-amine

2-(1-fluoroethyl)-1-benzofuran-4-amine (PubChem CID 84656832) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is 2-(1-fluoroethyl)-1-benzofuran-4-amine.

Molecular Properties

Compound Name2-(1-fluoroethyl)-1-benzofuran-4-amine
PubChem CID84656832
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name2-(1-fluoroethyl)-1-benzofuran-4-amine
SMILESCC(F)c1cc2c(N)cccc2o1
InChIInChI=1S/C10H10FNO/c1-6(11)10-5-7-8(12)3-2-4-9(7)13-10/h2-6H,12H2,1H3
InChIKeyHEQUAUHENSMZTQ-UHFFFAOYSA-N
XLogP3.05
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-fluoroethyl)-1-benzofuran-4-amine?
The IUPAC name of 2-(1-fluoroethyl)-1-benzofuran-4-amine (CID 84656832) is 2-(1-fluoroethyl)-1-benzofuran-4-amine.
What is the SMILES notation for 2-(1-fluoroethyl)-1-benzofuran-4-amine?
The canonical SMILES for 2-(1-fluoroethyl)-1-benzofuran-4-amine is CC(F)c1cc2c(N)cccc2o1.
What is the InChIKey of 2-(1-fluoroethyl)-1-benzofuran-4-amine?
The InChIKey is HEQUAUHENSMZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO/c1-6(11)10-5-7-8(12)3-2-4-9(7)13-10/h2-6H,12H2,1H3.
What are the key properties of 2-(1-fluoroethyl)-1-benzofuran-4-amine?
2-(1-fluoroethyl)-1-benzofuran-4-amine has a molecular weight of 179.19 g/mol, XLogP of 3.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoroethyl)-1-benzofuran-4-amine is sourced from PubChem (CID 84656832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).