3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole

C10H5F4NO — CID 91177416

IUPAC3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESFc1cc(C(F)(F)F)ccc1-c1ccon1
InChIInChI=1S/C10H5F4NO/c11-8-5-6(10(12,13)14)1-2-7(8)9-3-4-16-15-9/h1-5H
InChIKeySQRGZYHYVHZDSY-UHFFFAOYSA-N
MW231.15 g/mol
LogP3.50
Rot. Bonds1

About 3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole

3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole (PubChem CID 91177416) has the molecular formula C10H5F4NO and a molecular weight of 231.15 g/mol. Its IUPAC name is 3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole
PubChem CID91177416
Molecular FormulaC10H5F4NO
Molecular Weight231.15 g/mol
Exact Mass231.03
IUPAC Name3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole
SMILESFc1cc(C(F)(F)F)ccc1-c1ccon1
InChIInChI=1S/C10H5F4NO/c11-8-5-6(10(12,13)14)1-2-7(8)9-3-4-16-15-9/h1-5H
InChIKeySQRGZYHYVHZDSY-UHFFFAOYSA-N
XLogP3.50
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.15
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole?
The IUPAC name of 3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole (CID 91177416) is 3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole.
What is the SMILES notation for 3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole?
The canonical SMILES for 3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole is Fc1cc(C(F)(F)F)ccc1-c1ccon1.
What is the InChIKey of 3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole?
The InChIKey is SQRGZYHYVHZDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F4NO/c11-8-5-6(10(12,13)14)1-2-7(8)9-3-4-16-15-9/h1-5H.
What are the key properties of 3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole?
3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole has a molecular weight of 231.15 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-4-(trifluoromethyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 91177416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).