8-fluoro-N-(naphthalen-1-ylmethyl)dibenzofuran-2-amine

C23H16FNO — CID 22663995

IUPAC8-fluoro-N-(naphthalen-1-ylmethyl)dibenzofuran-2-amine
SMILESFc1ccc2oc3ccc(NCc4cccc5ccccc45)cc3c2c1
InChIInChI=1S/C23H16FNO/c24-17-8-10-22-20(12-17)21-13-18(9-11-23(21)26-22)25-14-16-6-3-5-15-4-1-2-7-19(15)16/h1-13,25H,14H2
InChIKeyYBEJFXOHZAGLNC-UHFFFAOYSA-N
MW341.39 g/mol
LogP6.49
Rot. Bonds3

About 8-fluoro-N-(naphthalen-1-ylmethyl)dibenzofuran-2-amine

8-fluoro-N-(naphthalen-1-ylmethyl)dibenzofuran-2-amine (PubChem CID 22663995) has the molecular formula C23H16FNO and a molecular weight of 341.39 g/mol. Its IUPAC name is 8-fluoro-N-(naphthalen-1-ylmethyl)dibenzofuran-2-amine.

Molecular Properties

Compound Name8-fluoro-N-(naphthalen-1-ylmethyl)dibenzofuran-2-amine
PubChem CID22663995
Molecular FormulaC23H16FNO
Molecular Weight341.39 g/mol
Exact Mass341.12
IUPAC Name8-fluoro-N-(naphthalen-1-ylmethyl)dibenzofuran-2-amine
SMILESFc1ccc2oc3ccc(NCc4cccc5ccccc45)cc3c2c1
InChIInChI=1S/C23H16FNO/c24-17-8-10-22-20(12-17)21-13-18(9-11-23(21)26-22)25-14-16-6-3-5-15-4-1-2-7-19(15)16/h1-13,25H,14H2
InChIKeyYBEJFXOHZAGLNC-UHFFFAOYSA-N
XLogP6.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.39
LogP ≤ 56.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-N-(naphthalen-1-ylmethyl)dibenzofuran-2-amine?
The IUPAC name of 8-fluoro-N-(naphthalen-1-ylmethyl)dibenzofuran-2-amine (CID 22663995) is 8-fluoro-N-(naphthalen-1-ylmethyl)dibenzofuran-2-amine.
What is the SMILES notation for 8-fluoro-N-(naphthalen-1-ylmethyl)dibenzofuran-2-amine?
The canonical SMILES for 8-fluoro-N-(naphthalen-1-ylmethyl)dibenzofuran-2-amine is Fc1ccc2oc3ccc(NCc4cccc5ccccc45)cc3c2c1.
What is the InChIKey of 8-fluoro-N-(naphthalen-1-ylmethyl)dibenzofuran-2-amine?
The InChIKey is YBEJFXOHZAGLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16FNO/c24-17-8-10-22-20(12-17)21-13-18(9-11-23(21)26-22)25-14-16-6-3-5-15-4-1-2-7-19(15)16/h1-13,25H,14H2.
What are the key properties of 8-fluoro-N-(naphthalen-1-ylmethyl)dibenzofuran-2-amine?
8-fluoro-N-(naphthalen-1-ylmethyl)dibenzofuran-2-amine has a molecular weight of 341.39 g/mol, XLogP of 6.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-N-(naphthalen-1-ylmethyl)dibenzofuran-2-amine is sourced from PubChem (CID 22663995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).