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

C11H7F4NO2 — CID 800554

IUPAC2-[3-(1,1,2,2-tetrafluoroethyl)-1,2-oxazol-5-yl]phenol
SMILESOc1ccccc1-c1cc(C(F)(F)C(F)F)no1
InChIInChI=1S/C11H7F4NO2/c12-10(13)11(14,15)9-5-8(18-16-9)6-3-1-2-4-7(6)17/h1-5,10,17H
InChIKeyKHVUQDAMSYBLMZ-UHFFFAOYSA-N
MW261.17 g/mol
LogP3.40
Rot. Bonds3

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

2-[3-(1,1,2,2-tetrafluoroethyl)-1,2-oxazol-5-yl]phenol (PubChem CID 800554) has the molecular formula C11H7F4NO2 and a molecular weight of 261.17 g/mol. Its IUPAC name is 2-[3-(1,1,2,2-tetrafluoroethyl)-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name2-[3-(1,1,2,2-tetrafluoroethyl)-1,2-oxazol-5-yl]phenol
PubChem CID800554
Molecular FormulaC11H7F4NO2
Molecular Weight261.17 g/mol
Exact Mass261.04
IUPAC Name2-[3-(1,1,2,2-tetrafluoroethyl)-1,2-oxazol-5-yl]phenol
SMILESOc1ccccc1-c1cc(C(F)(F)C(F)F)no1
InChIInChI=1S/C11H7F4NO2/c12-10(13)11(14,15)9-5-8(18-16-9)6-3-1-2-4-7(6)17/h1-5,10,17H
InChIKeyKHVUQDAMSYBLMZ-UHFFFAOYSA-N
XLogP3.40
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.17
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1,1,2,2-tetrafluoroethyl)-1,2-oxazol-5-yl]phenol?
The IUPAC name of 2-[3-(1,1,2,2-tetrafluoroethyl)-1,2-oxazol-5-yl]phenol (CID 800554) is 2-[3-(1,1,2,2-tetrafluoroethyl)-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 2-[3-(1,1,2,2-tetrafluoroethyl)-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 2-[3-(1,1,2,2-tetrafluoroethyl)-1,2-oxazol-5-yl]phenol is Oc1ccccc1-c1cc(C(F)(F)C(F)F)no1.
What is the InChIKey of 2-[3-(1,1,2,2-tetrafluoroethyl)-1,2-oxazol-5-yl]phenol?
The InChIKey is KHVUQDAMSYBLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F4NO2/c12-10(13)11(14,15)9-5-8(18-16-9)6-3-1-2-4-7(6)17/h1-5,10,17H.
What are the key properties of 2-[3-(1,1,2,2-tetrafluoroethyl)-1,2-oxazol-5-yl]phenol?
2-[3-(1,1,2,2-tetrafluoroethyl)-1,2-oxazol-5-yl]phenol has a molecular weight of 261.17 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1,1,2,2-tetrafluoroethyl)-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 800554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).