2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone

C15H9F2NO2 — CID 5278386

IUPAC2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone
SMILESO=C(c1ccccc1)C(F)(F)c1nc2ccccc2o1
InChIInChI=1S/C15H9F2NO2/c16-15(17,13(19)10-6-2-1-3-7-10)14-18-11-8-4-5-9-12(11)20-14/h1-9H
InChIKeyBYIBVFHNJJHXHW-UHFFFAOYSA-N
MW273.24 g/mol
LogP3.80
Rot. Bonds3

About 2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone

2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone (PubChem CID 5278386) has the molecular formula C15H9F2NO2 and a molecular weight of 273.24 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone
PubChem CID5278386
Molecular FormulaC15H9F2NO2
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone
SMILESO=C(c1ccccc1)C(F)(F)c1nc2ccccc2o1
InChIInChI=1S/C15H9F2NO2/c16-15(17,13(19)10-6-2-1-3-7-10)14-18-11-8-4-5-9-12(11)20-14/h1-9H
InChIKeyBYIBVFHNJJHXHW-UHFFFAOYSA-N
XLogP3.80
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone?
The IUPAC name of 2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone (CID 5278386) is 2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone.
What is the SMILES notation for 2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone?
The canonical SMILES for 2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone is O=C(c1ccccc1)C(F)(F)c1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone?
The InChIKey is BYIBVFHNJJHXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F2NO2/c16-15(17,13(19)10-6-2-1-3-7-10)14-18-11-8-4-5-9-12(11)20-14/h1-9H.
What are the key properties of 2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone?
2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone has a molecular weight of 273.24 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-yl)-2,2-difluoro-1-phenylethanone is sourced from PubChem (CID 5278386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).