2-(2-ethyl-1-benzofuran-3-yl)-5-fluoroaniline

C16H14FNO — CID 62957680

IUPAC2-(2-ethyl-1-benzofuran-3-yl)-5-fluoroaniline
SMILESCCc1oc2ccccc2c1-c1ccc(F)cc1N
InChIInChI=1S/C16H14FNO/c1-2-14-16(11-8-7-10(17)9-13(11)18)12-5-3-4-6-15(12)19-14/h3-9H,2,18H2,1H3
InChIKeyVVWWLAKMIOFEJB-UHFFFAOYSA-N
MW255.29 g/mol
LogP4.38
Rot. Bonds2

About 2-(2-ethyl-1-benzofuran-3-yl)-5-fluoroaniline

2-(2-ethyl-1-benzofuran-3-yl)-5-fluoroaniline (PubChem CID 62957680) has the molecular formula C16H14FNO and a molecular weight of 255.29 g/mol. Its IUPAC name is 2-(2-ethyl-1-benzofuran-3-yl)-5-fluoroaniline.

Molecular Properties

Compound Name2-(2-ethyl-1-benzofuran-3-yl)-5-fluoroaniline
PubChem CID62957680
Molecular FormulaC16H14FNO
Molecular Weight255.29 g/mol
Exact Mass255.11
IUPAC Name2-(2-ethyl-1-benzofuran-3-yl)-5-fluoroaniline
SMILESCCc1oc2ccccc2c1-c1ccc(F)cc1N
InChIInChI=1S/C16H14FNO/c1-2-14-16(11-8-7-10(17)9-13(11)18)12-5-3-4-6-15(12)19-14/h3-9H,2,18H2,1H3
InChIKeyVVWWLAKMIOFEJB-UHFFFAOYSA-N
XLogP4.38
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 54.38
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-(2-ethyl-1-benzofuran-3-yl)-5-fluoroaniline?
The IUPAC name of 2-(2-ethyl-1-benzofuran-3-yl)-5-fluoroaniline (CID 62957680) is 2-(2-ethyl-1-benzofuran-3-yl)-5-fluoroaniline.
What is the SMILES notation for 2-(2-ethyl-1-benzofuran-3-yl)-5-fluoroaniline?
The canonical SMILES for 2-(2-ethyl-1-benzofuran-3-yl)-5-fluoroaniline is CCc1oc2ccccc2c1-c1ccc(F)cc1N.
What is the InChIKey of 2-(2-ethyl-1-benzofuran-3-yl)-5-fluoroaniline?
The InChIKey is VVWWLAKMIOFEJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO/c1-2-14-16(11-8-7-10(17)9-13(11)18)12-5-3-4-6-15(12)19-14/h3-9H,2,18H2,1H3.
What are the key properties of 2-(2-ethyl-1-benzofuran-3-yl)-5-fluoroaniline?
2-(2-ethyl-1-benzofuran-3-yl)-5-fluoroaniline has a molecular weight of 255.29 g/mol, XLogP of 4.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1-benzofuran-3-yl)-5-fluoroaniline is sourced from PubChem (CID 62957680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).