3-(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)-1,2-oxazole

C11H16F3NO — CID 167004938

IUPAC3-(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)-1,2-oxazole
SMILESCC(C)(C)C(CCC(F)(F)F)c1ccon1
InChIInChI=1S/C11H16F3NO/c1-10(2,3)8(4-6-11(12,13)14)9-5-7-16-15-9/h5,7-8H,4,6H2,1-3H3
InChIKeyBEAQCYSGDUIZAH-UHFFFAOYSA-N
MW235.25 g/mol
LogP4.15
Rot. Bonds3

About 3-(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)-1,2-oxazole

3-(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)-1,2-oxazole (PubChem CID 167004938) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 3-(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)-1,2-oxazole.

Molecular Properties

Compound Name3-(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)-1,2-oxazole
PubChem CID167004938
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name3-(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)-1,2-oxazole
SMILESCC(C)(C)C(CCC(F)(F)F)c1ccon1
InChIInChI=1S/C11H16F3NO/c1-10(2,3)8(4-6-11(12,13)14)9-5-7-16-15-9/h5,7-8H,4,6H2,1-3H3
InChIKeyBEAQCYSGDUIZAH-UHFFFAOYSA-N
XLogP4.15
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)-1,2-oxazole?
The IUPAC name of 3-(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)-1,2-oxazole (CID 167004938) is 3-(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)-1,2-oxazole.
What is the SMILES notation for 3-(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)-1,2-oxazole?
The canonical SMILES for 3-(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)-1,2-oxazole is CC(C)(C)C(CCC(F)(F)F)c1ccon1.
What is the InChIKey of 3-(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)-1,2-oxazole?
The InChIKey is BEAQCYSGDUIZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-10(2,3)8(4-6-11(12,13)14)9-5-7-16-15-9/h5,7-8H,4,6H2,1-3H3.
What are the key properties of 3-(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)-1,2-oxazole?
3-(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)-1,2-oxazole has a molecular weight of 235.25 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,6,6-trifluoro-2,2-dimethylhexan-3-yl)-1,2-oxazole is sourced from PubChem (CID 167004938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).