1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone

C10H7F2NO3 — CID 118992474

IUPAC1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone
SMILESCC(=O)c1nc2cccc(OC(F)F)c2o1
InChIInChI=1S/C10H7F2NO3/c1-5(14)9-13-6-3-2-4-7(8(6)16-9)15-10(11)12/h2-4,10H,1H3
InChIKeyQAEFSQCLWONWCZ-UHFFFAOYSA-N
MW227.17 g/mol
LogP2.63
Rot. Bonds3

About 1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone

1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone (PubChem CID 118992474) has the molecular formula C10H7F2NO3 and a molecular weight of 227.17 g/mol. Its IUPAC name is 1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone
PubChem CID118992474
Molecular FormulaC10H7F2NO3
Molecular Weight227.17 g/mol
Exact Mass227.04
IUPAC Name1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone
SMILESCC(=O)c1nc2cccc(OC(F)F)c2o1
InChIInChI=1S/C10H7F2NO3/c1-5(14)9-13-6-3-2-4-7(8(6)16-9)15-10(11)12/h2-4,10H,1H3
InChIKeyQAEFSQCLWONWCZ-UHFFFAOYSA-N
XLogP2.63
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.17
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-7-(difluoromethoxy)-1,3-benzoxazole
CID 118996479
2-chloro-1-(7-methoxy-1,3-benzoxazol-2-yl)ethanone
CID 131317894
1-[3-(difluoromethoxy)-2-methylphenyl]ethanone
CID 70867743
4-(difluoromethoxy)-1,3-benzoxazole-2-carboxylic acid
CID 118846827
2-(difluoromethoxy)-7-fluoro-1,3-benzoxazole
CID 118803478
2-acetyl-3-(difluoromethoxy)benzaldehyde
CID 170996257
1,5-bis(difluoromethoxy)naphthalene
CID 166641341
2-chloro-1-(7-methylsulfanyl-1,3-benzoxazol-2-yl)ethanone
CID 131391332
2,4-bis(difluoromethoxy)-1,3-benzoxazole
CID 119004569
2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233000
8-(difluoromethoxy)-2-methylquinoline-4-carboxylic acid
CID 18002698
(2S)-2-(1,3-benzoxazol-2-ylsulfanyl)-N-[2-(difluoromethoxy)phenyl]propanamide
CID 40810410

Frequently Asked Questions

What is the IUPAC name of 1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone?
The IUPAC name of 1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone (CID 118992474) is 1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone.
What is the SMILES notation for 1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone?
The canonical SMILES for 1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone is CC(=O)c1nc2cccc(OC(F)F)c2o1.
What is the InChIKey of 1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone?
The InChIKey is QAEFSQCLWONWCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO3/c1-5(14)9-13-6-3-2-4-7(8(6)16-9)15-10(11)12/h2-4,10H,1H3.
What are the key properties of 1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone?
1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone has a molecular weight of 227.17 g/mol, XLogP of 2.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(difluoromethoxy)-1,3-benzoxazol-2-yl]ethanone is sourced from PubChem (CID 118992474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).