2-[3-(difluoromethyl)-1,2-oxazol-5-yl]phenol

C10H7F2NO2 — CID 921675

IUPAC2-[3-(difluoromethyl)-1,2-oxazol-5-yl]phenol
SMILESOc1ccccc1-c1cc(C(F)F)no1
InChIInChI=1S/C10H7F2NO2/c11-10(12)7-5-9(15-13-7)6-3-1-2-4-8(6)14/h1-5,10,14H
InChIKeyQXYFXJLVGVXIQX-UHFFFAOYSA-N
MW211.17 g/mol
LogP2.98
Rot. Bonds2

About 2-[3-(difluoromethyl)-1,2-oxazol-5-yl]phenol

2-[3-(difluoromethyl)-1,2-oxazol-5-yl]phenol (PubChem CID 921675) has the molecular formula C10H7F2NO2 and a molecular weight of 211.17 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-1,2-oxazol-5-yl]phenol
PubChem CID921675
Molecular FormulaC10H7F2NO2
Molecular Weight211.17 g/mol
Exact Mass211.04
IUPAC Name2-[3-(difluoromethyl)-1,2-oxazol-5-yl]phenol
SMILESOc1ccccc1-c1cc(C(F)F)no1
InChIInChI=1S/C10H7F2NO2/c11-10(12)7-5-9(15-13-7)6-3-1-2-4-8(6)14/h1-5,10,14H
InChIKeyQXYFXJLVGVXIQX-UHFFFAOYSA-N
XLogP2.98
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-1,2-oxazol-5-yl]phenol?
The IUPAC name of 2-[3-(difluoromethyl)-1,2-oxazol-5-yl]phenol (CID 921675) is 2-[3-(difluoromethyl)-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(difluoromethyl)-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 2-[3-(difluoromethyl)-1,2-oxazol-5-yl]phenol is Oc1ccccc1-c1cc(C(F)F)no1.
What is the InChIKey of 2-[3-(difluoromethyl)-1,2-oxazol-5-yl]phenol?
The InChIKey is QXYFXJLVGVXIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F2NO2/c11-10(12)7-5-9(15-13-7)6-3-1-2-4-8(6)14/h1-5,10,14H.
What are the key properties of 2-[3-(difluoromethyl)-1,2-oxazol-5-yl]phenol?
2-[3-(difluoromethyl)-1,2-oxazol-5-yl]phenol has a molecular weight of 211.17 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 921675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).