2-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-4-fluoroaniline

C14H11ClFNO — CID 107616064

IUPAC2-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-4-fluoroaniline
SMILESNc1c(Cl)cc(F)cc1-c1cccc2c1OCC2
InChIInChI=1S/C14H11ClFNO/c15-12-7-9(16)6-11(13(12)17)10-3-1-2-8-4-5-18-14(8)10/h1-3,6-7H,4-5,17H2
InChIKeyYFWBALWVUSWDRJ-UHFFFAOYSA-N
MW263.70 g/mol
LogP3.66
Rot. Bonds1

About 2-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-4-fluoroaniline

2-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-4-fluoroaniline (PubChem CID 107616064) has the molecular formula C14H11ClFNO and a molecular weight of 263.70 g/mol. Its IUPAC name is 2-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-4-fluoroaniline.

Molecular Properties

Compound Name2-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-4-fluoroaniline
PubChem CID107616064
Molecular FormulaC14H11ClFNO
Molecular Weight263.70 g/mol
Exact Mass263.05
IUPAC Name2-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-4-fluoroaniline
SMILESNc1c(Cl)cc(F)cc1-c1cccc2c1OCC2
InChIInChI=1S/C14H11ClFNO/c15-12-7-9(16)6-11(13(12)17)10-3-1-2-8-4-5-18-14(8)10/h1-3,6-7H,4-5,17H2
InChIKeyYFWBALWVUSWDRJ-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 53.66
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-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-4-fluoroaniline?
The IUPAC name of 2-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-4-fluoroaniline (CID 107616064) is 2-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-4-fluoroaniline.
What is the SMILES notation for 2-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-4-fluoroaniline?
The canonical SMILES for 2-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-4-fluoroaniline is Nc1c(Cl)cc(F)cc1-c1cccc2c1OCC2.
What is the InChIKey of 2-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-4-fluoroaniline?
The InChIKey is YFWBALWVUSWDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO/c15-12-7-9(16)6-11(13(12)17)10-3-1-2-8-4-5-18-14(8)10/h1-3,6-7H,4-5,17H2.
What are the key properties of 2-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-4-fluoroaniline?
2-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-4-fluoroaniline has a molecular weight of 263.70 g/mol, XLogP of 3.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-4-fluoroaniline is sourced from PubChem (CID 107616064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).