2-(1,1-difluoro-2-methylpropyl)pyridine

C9H11F2N — CID 116841481

IUPAC2-(1,1-difluoro-2-methylpropyl)pyridine
SMILESCC(C)C(F)(F)c1ccccn1
InChIInChI=1S/C9H11F2N/c1-7(2)9(10,11)8-5-3-4-6-12-8/h3-7H,1-2H3
InChIKeyNWZKOPIOTQYWHD-UHFFFAOYSA-N
MW171.19 g/mol
LogP2.83
Rot. Bonds2

About 2-(1,1-difluoro-2-methylpropyl)pyridine

2-(1,1-difluoro-2-methylpropyl)pyridine (PubChem CID 116841481) has the molecular formula C9H11F2N and a molecular weight of 171.19 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-methylpropyl)pyridine.

Molecular Properties

Compound Name2-(1,1-difluoro-2-methylpropyl)pyridine
PubChem CID116841481
Molecular FormulaC9H11F2N
Molecular Weight171.19 g/mol
Exact Mass171.09
IUPAC Name2-(1,1-difluoro-2-methylpropyl)pyridine
SMILESCC(C)C(F)(F)c1ccccn1
InChIInChI=1S/C9H11F2N/c1-7(2)9(10,11)8-5-3-4-6-12-8/h3-7H,1-2H3
InChIKeyNWZKOPIOTQYWHD-UHFFFAOYSA-N
XLogP2.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.19
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2-methylpropyl)pyridine?
The IUPAC name of 2-(1,1-difluoro-2-methylpropyl)pyridine (CID 116841481) is 2-(1,1-difluoro-2-methylpropyl)pyridine.
What is the SMILES notation for 2-(1,1-difluoro-2-methylpropyl)pyridine?
The canonical SMILES for 2-(1,1-difluoro-2-methylpropyl)pyridine is CC(C)C(F)(F)c1ccccn1.
What is the InChIKey of 2-(1,1-difluoro-2-methylpropyl)pyridine?
The InChIKey is NWZKOPIOTQYWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N/c1-7(2)9(10,11)8-5-3-4-6-12-8/h3-7H,1-2H3.
What are the key properties of 2-(1,1-difluoro-2-methylpropyl)pyridine?
2-(1,1-difluoro-2-methylpropyl)pyridine has a molecular weight of 171.19 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2-methylpropyl)pyridine is sourced from PubChem (CID 116841481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).