2-(difluoromethyl)-1,3-benzoxazol-5-ol

C8H5F2NO2 — CID 118843102

IUPAC2-(difluoromethyl)-1,3-benzoxazol-5-ol
SMILESOc1ccc2oc(C(F)F)nc2c1
InChIInChI=1S/C8H5F2NO2/c9-7(10)8-11-5-3-4(12)1-2-6(5)13-8/h1-3,7,12H
InChIKeyLYZFZENNKONSTH-UHFFFAOYSA-N
MW185.13 g/mol
LogP2.47
Rot. Bonds1

About 2-(difluoromethyl)-1,3-benzoxazol-5-ol

2-(difluoromethyl)-1,3-benzoxazol-5-ol (PubChem CID 118843102) has the molecular formula C8H5F2NO2 and a molecular weight of 185.13 g/mol. Its IUPAC name is 2-(difluoromethyl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-(difluoromethyl)-1,3-benzoxazol-5-ol
PubChem CID118843102
Molecular FormulaC8H5F2NO2
Molecular Weight185.13 g/mol
Exact Mass185.03
IUPAC Name2-(difluoromethyl)-1,3-benzoxazol-5-ol
SMILESOc1ccc2oc(C(F)F)nc2c1
InChIInChI=1S/C8H5F2NO2/c9-7(10)8-11-5-3-4(12)1-2-6(5)13-8/h1-3,7,12H
InChIKeyLYZFZENNKONSTH-UHFFFAOYSA-N
XLogP2.47
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.13
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(chloromethyl)-2-(difluoromethyl)-1,3-benzoxazole
CID 130863160
2-(difluoromethyl)-5-(trifluoromethylsulfanyl)-1,3-benzoxazole
CID 118826188
2-methyl-1,3-benzoxazol-5-ol
CID 10888073
5-(difluoromethyl)-2-propan-2-yl-1,3-benzoxazole
CID 84678196
2-(propan-2-ylamino)-1,3-benzoxazol-5-ol
CID 89172308
2-(4-fluorophenyl)-1,3-benzoxazol-5-ol
CID 3625866
5-hydroxy-1,3-benzoxazole-2-carbonyl chloride
CID 131010337
[acetyloxy-(5-hydroxy-1,3-benzoxazol-2-yl)methyl] butanoate
CID 70191318
2-(difluoromethyl)-1,3-benzoxazole-6-carbonyl chloride
CID 118843437
1-(5-fluoro-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 64793422
2-bromo-1-[2-(difluoromethyl)-1,3-benzoxazol-6-yl]ethanone
CID 131373558
2-chloro-1-[2-(difluoromethyl)-1,3-benzoxazol-6-yl]ethanone
CID 131373552

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1,3-benzoxazol-5-ol?
The IUPAC name of 2-(difluoromethyl)-1,3-benzoxazol-5-ol (CID 118843102) is 2-(difluoromethyl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-(difluoromethyl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-(difluoromethyl)-1,3-benzoxazol-5-ol is Oc1ccc2oc(C(F)F)nc2c1.
What is the InChIKey of 2-(difluoromethyl)-1,3-benzoxazol-5-ol?
The InChIKey is LYZFZENNKONSTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F2NO2/c9-7(10)8-11-5-3-4(12)1-2-6(5)13-8/h1-3,7,12H.
What are the key properties of 2-(difluoromethyl)-1,3-benzoxazol-5-ol?
2-(difluoromethyl)-1,3-benzoxazol-5-ol has a molecular weight of 185.13 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 118843102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).