2-(1,1-difluoro-2-naphthalen-2-ylethyl)-1,3-benzoxazole

C19H13F2NO — CID 141354377

IUPAC2-(1,1-difluoro-2-naphthalen-2-ylethyl)-1,3-benzoxazole
SMILESFC(F)(Cc1ccc2ccccc2c1)c1nc2ccccc2o1
InChIInChI=1S/C19H13F2NO/c20-19(21,18-22-16-7-3-4-8-17(16)23-18)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-11H,12H2
InChIKeyYZYJFHSTLKDXQE-UHFFFAOYSA-N
MW309.32 g/mol
LogP5.32
Rot. Bonds3

About 2-(1,1-difluoro-2-naphthalen-2-ylethyl)-1,3-benzoxazole

2-(1,1-difluoro-2-naphthalen-2-ylethyl)-1,3-benzoxazole (PubChem CID 141354377) has the molecular formula C19H13F2NO and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-naphthalen-2-ylethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(1,1-difluoro-2-naphthalen-2-ylethyl)-1,3-benzoxazole
PubChem CID141354377
Molecular FormulaC19H13F2NO
Molecular Weight309.32 g/mol
Exact Mass309.10
IUPAC Name2-(1,1-difluoro-2-naphthalen-2-ylethyl)-1,3-benzoxazole
SMILESFC(F)(Cc1ccc2ccccc2c1)c1nc2ccccc2o1
InChIInChI=1S/C19H13F2NO/c20-19(21,18-22-16-7-3-4-8-17(16)23-18)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-11H,12H2
InChIKeyYZYJFHSTLKDXQE-UHFFFAOYSA-N
XLogP5.32
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.32
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2-naphthalen-2-ylethyl)-1,3-benzoxazole?
The IUPAC name of 2-(1,1-difluoro-2-naphthalen-2-ylethyl)-1,3-benzoxazole (CID 141354377) is 2-(1,1-difluoro-2-naphthalen-2-ylethyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(1,1-difluoro-2-naphthalen-2-ylethyl)-1,3-benzoxazole?
The canonical SMILES for 2-(1,1-difluoro-2-naphthalen-2-ylethyl)-1,3-benzoxazole is FC(F)(Cc1ccc2ccccc2c1)c1nc2ccccc2o1.
What is the InChIKey of 2-(1,1-difluoro-2-naphthalen-2-ylethyl)-1,3-benzoxazole?
The InChIKey is YZYJFHSTLKDXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO/c20-19(21,18-22-16-7-3-4-8-17(16)23-18)12-13-9-10-14-5-1-2-6-15(14)11-13/h1-11H,12H2.
What are the key properties of 2-(1,1-difluoro-2-naphthalen-2-ylethyl)-1,3-benzoxazole?
2-(1,1-difluoro-2-naphthalen-2-ylethyl)-1,3-benzoxazole has a molecular weight of 309.32 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2-naphthalen-2-ylethyl)-1,3-benzoxazole is sourced from PubChem (CID 141354377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).