2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine

C11H12F5N — CID 14293969

IUPAC2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine
SMILESCC(C)Cc1cc(C(F)F)nc(C(F)(F)F)c1
InChIInChI=1S/C11H12F5N/c1-6(2)3-7-4-8(10(12)13)17-9(5-7)11(14,15)16/h4-6,10H,3H2,1-2H3
InChIKeyRBFBTCCZOYRURO-UHFFFAOYSA-N
MW253.21 g/mol
LogP4.24
Rot. Bonds3

About 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine

2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine (PubChem CID 14293969) has the molecular formula C11H12F5N and a molecular weight of 253.21 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine
PubChem CID14293969
Molecular FormulaC11H12F5N
Molecular Weight253.21 g/mol
Exact Mass253.09
IUPAC Name2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine
SMILESCC(C)Cc1cc(C(F)F)nc(C(F)(F)F)c1
InChIInChI=1S/C11H12F5N/c1-6(2)3-7-4-8(10(12)13)17-9(5-7)11(14,15)16/h4-6,10H,3H2,1-2H3
InChIKeyRBFBTCCZOYRURO-UHFFFAOYSA-N
XLogP4.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.21
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine?
The IUPAC name of 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine (CID 14293969) is 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine?
The canonical SMILES for 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine is CC(C)Cc1cc(C(F)F)nc(C(F)(F)F)c1.
What is the InChIKey of 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine?
The InChIKey is RBFBTCCZOYRURO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F5N/c1-6(2)3-7-4-8(10(12)13)17-9(5-7)11(14,15)16/h4-6,10H,3H2,1-2H3.
What are the key properties of 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine?
2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine has a molecular weight of 253.21 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-(2-methylpropyl)-6-(trifluoromethyl)pyridine is sourced from PubChem (CID 14293969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).