6-fluoro-2-phenyl-2,3-dihydro-1,3-benzoxazole

C13H10FNO — CID 146504695

IUPAC6-fluoro-2-phenyl-2,3-dihydro-1,3-benzoxazole
SMILESFc1ccc2c(c1)OC(c1ccccc1)N2
InChIInChI=1S/C13H10FNO/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8,13,15H
InChIKeyPARQGAUYBTYZIC-UHFFFAOYSA-N
MW215.23 g/mol
LogP3.33
Rot. Bonds1

About 6-fluoro-2-phenyl-2,3-dihydro-1,3-benzoxazole

6-fluoro-2-phenyl-2,3-dihydro-1,3-benzoxazole (PubChem CID 146504695) has the molecular formula C13H10FNO and a molecular weight of 215.23 g/mol. Its IUPAC name is 6-fluoro-2-phenyl-2,3-dihydro-1,3-benzoxazole.

Molecular Properties

Compound Name6-fluoro-2-phenyl-2,3-dihydro-1,3-benzoxazole
PubChem CID146504695
Molecular FormulaC13H10FNO
Molecular Weight215.23 g/mol
Exact Mass215.07
IUPAC Name6-fluoro-2-phenyl-2,3-dihydro-1,3-benzoxazole
SMILESFc1ccc2c(c1)OC(c1ccccc1)N2
InChIInChI=1S/C13H10FNO/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8,13,15H
InChIKeyPARQGAUYBTYZIC-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-phenyl-2,3-dihydro-1,3-benzoxazole?
The IUPAC name of 6-fluoro-2-phenyl-2,3-dihydro-1,3-benzoxazole (CID 146504695) is 6-fluoro-2-phenyl-2,3-dihydro-1,3-benzoxazole.
What is the SMILES notation for 6-fluoro-2-phenyl-2,3-dihydro-1,3-benzoxazole?
The canonical SMILES for 6-fluoro-2-phenyl-2,3-dihydro-1,3-benzoxazole is Fc1ccc2c(c1)OC(c1ccccc1)N2.
What is the InChIKey of 6-fluoro-2-phenyl-2,3-dihydro-1,3-benzoxazole?
The InChIKey is PARQGAUYBTYZIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO/c14-10-6-7-11-12(8-10)16-13(15-11)9-4-2-1-3-5-9/h1-8,13,15H.
What are the key properties of 6-fluoro-2-phenyl-2,3-dihydro-1,3-benzoxazole?
6-fluoro-2-phenyl-2,3-dihydro-1,3-benzoxazole has a molecular weight of 215.23 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-phenyl-2,3-dihydro-1,3-benzoxazole is sourced from PubChem (CID 146504695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).