1-[5-(difluoromethyl)-1,3-benzoxazol-2-yl]ethanone

C10H7F2NO2 — CID 84678155

IUPAC1-[5-(difluoromethyl)-1,3-benzoxazol-2-yl]ethanone
SMILESCC(=O)c1nc2cc(C(F)F)ccc2o1
InChIInChI=1S/C10H7F2NO2/c1-5(14)10-13-7-4-6(9(11)12)2-3-8(7)15-10/h2-4,9H,1H3
InChIKeyIWCQJYPWRYKIJL-UHFFFAOYSA-N
MW211.17 g/mol
LogP2.97
Rot. Bonds2

About 1-[5-(difluoromethyl)-1,3-benzoxazol-2-yl]ethanone

1-[5-(difluoromethyl)-1,3-benzoxazol-2-yl]ethanone (PubChem CID 84678155) has the molecular formula C10H7F2NO2 and a molecular weight of 211.17 g/mol. Its IUPAC name is 1-[5-(difluoromethyl)-1,3-benzoxazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[5-(difluoromethyl)-1,3-benzoxazol-2-yl]ethanone
PubChem CID84678155
Molecular FormulaC10H7F2NO2
Molecular Weight211.17 g/mol
Exact Mass211.04
IUPAC Name1-[5-(difluoromethyl)-1,3-benzoxazol-2-yl]ethanone
SMILESCC(=O)c1nc2cc(C(F)F)ccc2o1
InChIInChI=1S/C10H7F2NO2/c1-5(14)10-13-7-4-6(9(11)12)2-3-8(7)15-10/h2-4,9H,1H3
InChIKeyIWCQJYPWRYKIJL-UHFFFAOYSA-N
XLogP2.97
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-1,3-benzoxazol-2-yl)ethanone
CID 82598754
5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole
CID 84678196
2-ethylsulfonyl-1-(5-methyl-1,3-benzoxazol-2-yl)ethanone
CID 160841704
5-hydroxy-1,3-benzoxazole-2-carbonyl chloride
CID 131010337
2-acetyl-1,3-benzoxazole-6-sulfonyl chloride
CID 131464668
1-(2-nitro-1,3-benzoxazol-5-yl)ethanone
CID 131328273
3,4-diamino-4-(2-methyl-1,3-benzoxazol-5-yl)butanoic acid
CID 116942843
2-bromo-1-(5-methoxy-1,3-benzoxazol-2-yl)ethanone
CID 131374321
1-[2-(2-methylpropyl)-1,3-benzoxazol-5-yl]ethanone
CID 82285127
2-bromo-1-(5-chloro-1,3-benzoxazol-2-yl)ethanone
CID 131191319
2-bromo-1-[5-(bromomethyl)-1,3-benzoxazol-2-yl]ethanone
CID 131306787
methylamino-(2-methyl-1,3-benzoxazol-5-yl)methanol
CID 116954712

Frequently Asked Questions

What is the IUPAC name of 1-[5-(difluoromethyl)-1,3-benzoxazol-2-yl]ethanone?
The IUPAC name of 1-[5-(difluoromethyl)-1,3-benzoxazol-2-yl]ethanone (CID 84678155) is 1-[5-(difluoromethyl)-1,3-benzoxazol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(difluoromethyl)-1,3-benzoxazol-2-yl]ethanone?
The canonical SMILES for 1-[5-(difluoromethyl)-1,3-benzoxazol-2-yl]ethanone is CC(=O)c1nc2cc(C(F)F)ccc2o1.
What is the InChIKey of 1-[5-(difluoromethyl)-1,3-benzoxazol-2-yl]ethanone?
The InChIKey is IWCQJYPWRYKIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO2/c1-5(14)10-13-7-4-6(9(11)12)2-3-8(7)15-10/h2-4,9H,1H3.
What are the key properties of 1-[5-(difluoromethyl)-1,3-benzoxazol-2-yl]ethanone?
1-[5-(difluoromethyl)-1,3-benzoxazol-2-yl]ethanone has a molecular weight of 211.17 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(difluoromethyl)-1,3-benzoxazol-2-yl]ethanone is sourced from PubChem (CID 84678155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).