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

C14H9ClFNO — CID 114732001

IUPAC4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline
SMILESNc1ccc(-c2cc3cccc(Cl)c3o2)c(F)c1
InChIInChI=1S/C14H9ClFNO/c15-11-3-1-2-8-6-13(18-14(8)11)10-5-4-9(17)7-12(10)16/h1-7H,17H2
InChIKeyAGTASZUHWLLVAU-UHFFFAOYSA-N
MW261.68 g/mol
LogP4.47
Rot. Bonds1

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

4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline (PubChem CID 114732001) has the molecular formula C14H9ClFNO and a molecular weight of 261.68 g/mol. Its IUPAC name is 4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline
PubChem CID114732001
Molecular FormulaC14H9ClFNO
Molecular Weight261.68 g/mol
Exact Mass261.04
IUPAC Name4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline
SMILESNc1ccc(-c2cc3cccc(Cl)c3o2)c(F)c1
InChIInChI=1S/C14H9ClFNO/c15-11-3-1-2-8-6-13(18-14(8)11)10-5-4-9(17)7-12(10)16/h1-7H,17H2
InChIKeyAGTASZUHWLLVAU-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

4-(7-chloro-1-benzofuran-2-yl)-3-fluorobenzoic acid
CID 114731769
[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]methanamine
CID 114732565
1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]ethanone
CID 114732126
1-[3-(7-chloro-1-benzofuran-2-yl)-4-fluorophenyl]-N-methylmethanamine
CID 114732546
2,5-dichloro-4-(7-fluoro-1-benzofuran-2-yl)phenol
CID 107663435
2-chloro-4-(7-chloro-1-benzofuran-2-yl)-5-fluoropyrimidine
CID 114734336
3-chloro-4-(7-chloro-1-benzofuran-2-yl)benzoic acid
CID 114731762
7-chloro-1-benzofuran-2-sulfonamide
CID 114733064
4-(7-chloro-1-benzofuran-2-yl)-3-methylbenzaldehyde
CID 114732125
4-(7-chloro-1-methylbenzimidazol-2-yl)-3-fluoroaniline
CID 107793614
3-chloro-4-(5-fluoro-1-benzofuran-2-yl)aniline
CID 107616054
3-fluoro-4-(2,4,6-trichlorophenyl)aniline
CID 105349877

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline?
The IUPAC name of 4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline (CID 114732001) is 4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline.
What is the SMILES notation for 4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline?
The canonical SMILES for 4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline is Nc1ccc(-c2cc3cccc(Cl)c3o2)c(F)c1.
What is the InChIKey of 4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline?
The InChIKey is AGTASZUHWLLVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFNO/c15-11-3-1-2-8-6-13(18-14(8)11)10-5-4-9(17)7-12(10)16/h1-7H,17H2.
What are the key properties of 4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline?
4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline 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 4-(7-chloro-1-benzofuran-2-yl)-3-fluoroaniline is sourced from PubChem (CID 114732001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).