2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine

C11H14F3NO — CID 146439449

IUPAC2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine
SMILESCCC(C)(C)c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C11H14F3NO/c1-4-10(2,3)9-6-5-8(7-15-9)16-11(12,13)14/h5-7H,4H2,1-3H3
InChIKeyDWQFYWMKYCQRLY-UHFFFAOYSA-N
MW233.23 g/mol
LogP3.67
Rot. Bonds3

About 2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine

2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine (PubChem CID 146439449) has the molecular formula C11H14F3NO and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine
PubChem CID146439449
Molecular FormulaC11H14F3NO
Molecular Weight233.23 g/mol
Exact Mass233.10
IUPAC Name2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine
SMILESCCC(C)(C)c1ccc(OC(F)(F)F)cn1
InChIInChI=1S/C11H14F3NO/c1-4-10(2,3)9-6-5-8(7-15-9)16-11(12,13)14/h5-7H,4H2,1-3H3
InChIKeyDWQFYWMKYCQRLY-UHFFFAOYSA-N
XLogP3.67
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine?
The IUPAC name of 2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine (CID 146439449) is 2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine?
The canonical SMILES for 2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine is CCC(C)(C)c1ccc(OC(F)(F)F)cn1.
What is the InChIKey of 2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine?
The InChIKey is DWQFYWMKYCQRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO/c1-4-10(2,3)9-6-5-8(7-15-9)16-11(12,13)14/h5-7H,4H2,1-3H3.
What are the key properties of 2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine?
2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine has a molecular weight of 233.23 g/mol, XLogP of 3.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-5-(trifluoromethoxy)pyridine is sourced from PubChem (CID 146439449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).