3-bromo-1-chloro-4-fluoronaphtho[2,3-b][1]benzofuran

C16H7BrClFO — CID 163990189

IUPAC3-bromo-1-chloro-4-fluoronaphtho[2,3-b][1]benzofuran
SMILESFc1c(Br)cc(Cl)c2c1oc1cc3ccccc3cc12
InChIInChI=1S/C16H7BrClFO/c17-11-7-12(18)14-10-5-8-3-1-2-4-9(8)6-13(10)20-16(14)15(11)19/h1-7H
InChIKeyTZXLFQVADTYADJ-UHFFFAOYSA-N
MW349.59 g/mol
LogP6.29
Rot. Bonds

About 3-bromo-1-chloro-4-fluoronaphtho[2,3-b][1]benzofuran

3-bromo-1-chloro-4-fluoronaphtho[2,3-b][1]benzofuran (PubChem CID 163990189) has the molecular formula C16H7BrClFO and a molecular weight of 349.59 g/mol. Its IUPAC name is 3-bromo-1-chloro-4-fluoronaphtho[2,3-b][1]benzofuran.

Molecular Properties

Compound Name3-bromo-1-chloro-4-fluoronaphtho[2,3-b][1]benzofuran
PubChem CID163990189
Molecular FormulaC16H7BrClFO
Molecular Weight349.59 g/mol
Exact Mass347.94
IUPAC Name3-bromo-1-chloro-4-fluoronaphtho[2,3-b][1]benzofuran
SMILESFc1c(Br)cc(Cl)c2c1oc1cc3ccccc3cc12
InChIInChI=1S/C16H7BrClFO/c17-11-7-12(18)14-10-5-8-3-1-2-4-9(8)6-13(10)20-16(14)15(11)19/h1-7H
InChIKeyTZXLFQVADTYADJ-UHFFFAOYSA-N
XLogP6.29
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.59
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-chloro-4-fluoronaphtho[2,3-b][1]benzofuran?
The IUPAC name of 3-bromo-1-chloro-4-fluoronaphtho[2,3-b][1]benzofuran (CID 163990189) is 3-bromo-1-chloro-4-fluoronaphtho[2,3-b][1]benzofuran.
What is the SMILES notation for 3-bromo-1-chloro-4-fluoronaphtho[2,3-b][1]benzofuran?
The canonical SMILES for 3-bromo-1-chloro-4-fluoronaphtho[2,3-b][1]benzofuran is Fc1c(Br)cc(Cl)c2c1oc1cc3ccccc3cc12.
What is the InChIKey of 3-bromo-1-chloro-4-fluoronaphtho[2,3-b][1]benzofuran?
The InChIKey is TZXLFQVADTYADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H7BrClFO/c17-11-7-12(18)14-10-5-8-3-1-2-4-9(8)6-13(10)20-16(14)15(11)19/h1-7H.
What are the key properties of 3-bromo-1-chloro-4-fluoronaphtho[2,3-b][1]benzofuran?
3-bromo-1-chloro-4-fluoronaphtho[2,3-b][1]benzofuran has a molecular weight of 349.59 g/mol, XLogP of 6.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-chloro-4-fluoronaphtho[2,3-b][1]benzofuran is sourced from PubChem (CID 163990189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).