3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline

C14H9ClFNO — CID 107616054

IUPAC3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline
SMILESNc1ccc(-c2cc3cc(F)ccc3o2)c(Cl)c1
InChIInChI=1S/C14H9ClFNO/c15-12-7-10(17)2-3-11(12)14-6-8-5-9(16)1-4-13(8)18-14/h1-7H,17H2
InChIKeyFKZSQKSOHCHMLU-UHFFFAOYSA-N
MW261.68 g/mol
LogP4.47
Rot. Bonds1

About 3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline

3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline (PubChem CID 107616054) has the molecular formula C14H9ClFNO and a molecular weight of 261.68 g/mol. Its IUPAC name is 3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline.

Molecular Properties

Compound Name3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline
PubChem CID107616054
Molecular FormulaC14H9ClFNO
Molecular Weight261.68 g/mol
Exact Mass261.04
IUPAC Name3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline
SMILESNc1ccc(-c2cc3cc(F)ccc3o2)c(Cl)c1
InChIInChI=1S/C14H9ClFNO/c15-12-7-10(17)2-3-11(12)14-6-8-5-9(16)1-4-13(8)18-14/h1-7H,17H2
InChIKeyFKZSQKSOHCHMLU-UHFFFAOYSA-N
XLogP4.47
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.68
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenol
CID 114735944
3-chloro-5-(5-fluoro-1-benzofuran-2-yl)-1H-pyridazin-6-one
CID 106521848
2-chloro-6-(5-fluoro-1-benzofuran-2-yl)pyridine
CID 114734234
4-(2-chloro-4-fluorophenyl)aniline
CID 115504877
4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline
CID 114732001
2-[4-(1-benzofuran-2-yl)-2,5-dichlorophenyl]-1-benzofuran
CID 67296045
[4-(5-chloro-1-benzofuran-2-yl)-3-fluorophenyl]methanamine
CID 114732361
2-bromo-5-(5-fluoro-1-benzofuran-2-yl)-1,3,4-thiadiazole
CID 114734262
N-[[3-fluoro-4-(5-fluoro-1-benzofuran-2-yl)phenyl]methyl]ethanamine
CID 114732421
1-chloro-4-(5-fluoro-1-benzofuran-2-yl)phthalazine
CID 114734232
7-fluoro-2-(7-fluorobenzo[f][1]benzofuran-2-yl)benzo[f][1]benzofuran
CID 71108521
(3-chloro-4-fluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanamine
CID 114728550

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline?
The IUPAC name of 3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline (CID 107616054) is 3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline.
What is the SMILES notation for 3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline?
The canonical SMILES for 3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline is Nc1ccc(-c2cc3cc(F)ccc3o2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline?
The InChIKey is FKZSQKSOHCHMLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO/c15-12-7-10(17)2-3-11(12)14-6-8-5-9(16)1-4-13(8)18-14/h1-7H,17H2.
What are the key properties of 3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline?
3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline has a molecular weight of 261.68 g/mol, XLogP of 4.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline is sourced from PubChem (CID 107616054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).