2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine

C10H9F6N — CID 59664272

IUPAC2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine
SMILESCC(C)c1cc(C(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C10H9F6N/c1-5(2)7-3-6(9(11,12)13)4-8(17-7)10(14,15)16/h3-5H,1-2H3
InChIKeyNCKMBQUDTLFKMF-UHFFFAOYSA-N
MW257.18 g/mol
LogP4.24
Rot. Bonds1

About 2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine

2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine (PubChem CID 59664272) has the molecular formula C10H9F6N and a molecular weight of 257.18 g/mol. Its IUPAC name is 2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine
PubChem CID59664272
Molecular FormulaC10H9F6N
Molecular Weight257.18 g/mol
Exact Mass257.06
IUPAC Name2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine
SMILESCC(C)c1cc(C(F)(F)F)cc(C(F)(F)F)n1
InChIInChI=1S/C10H9F6N/c1-5(2)7-3-6(9(11,12)13)4-8(17-7)10(14,15)16/h3-5H,1-2H3
InChIKeyNCKMBQUDTLFKMF-UHFFFAOYSA-N
XLogP4.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.18
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine?
The IUPAC name of 2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine (CID 59664272) is 2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine.
What is the SMILES notation for 2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine?
The canonical SMILES for 2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine is CC(C)c1cc(C(F)(F)F)cc(C(F)(F)F)n1.
What is the InChIKey of 2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine?
The InChIKey is NCKMBQUDTLFKMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F6N/c1-5(2)7-3-6(9(11,12)13)4-8(17-7)10(14,15)16/h3-5H,1-2H3.
What are the key properties of 2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine?
2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine has a molecular weight of 257.18 g/mol, XLogP of 4.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4,6-bis(trifluoromethyl)pyridine is sourced from PubChem (CID 59664272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).