2-butan-2-yl-6-(difluoromethyl)pyridine

C10H13F2N — CID 167246251

IUPAC2-butan-2-yl-6-(difluoromethyl)pyridine
SMILESCCC(C)c1cccc(C(F)F)n1
InChIInChI=1S/C10H13F2N/c1-3-7(2)8-5-4-6-9(13-8)10(11)12/h4-7,10H,3H2,1-2H3
InChIKeyMFCRRLJDYLYSAN-UHFFFAOYSA-N
MW185.22 g/mol
LogP3.53
Rot. Bonds3

About 2-butan-2-yl-6-(difluoromethyl)pyridine

2-butan-2-yl-6-(difluoromethyl)pyridine (PubChem CID 167246251) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 2-butan-2-yl-6-(difluoromethyl)pyridine.

Molecular Properties

Compound Name2-butan-2-yl-6-(difluoromethyl)pyridine
PubChem CID167246251
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name2-butan-2-yl-6-(difluoromethyl)pyridine
SMILESCCC(C)c1cccc(C(F)F)n1
InChIInChI=1S/C10H13F2N/c1-3-7(2)8-5-4-6-9(13-8)10(11)12/h4-7,10H,3H2,1-2H3
InChIKeyMFCRRLJDYLYSAN-UHFFFAOYSA-N
XLogP3.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-6-(difluoromethyl)pyridine?
The IUPAC name of 2-butan-2-yl-6-(difluoromethyl)pyridine (CID 167246251) is 2-butan-2-yl-6-(difluoromethyl)pyridine.
What is the SMILES notation for 2-butan-2-yl-6-(difluoromethyl)pyridine?
The canonical SMILES for 2-butan-2-yl-6-(difluoromethyl)pyridine is CCC(C)c1cccc(C(F)F)n1.
What is the InChIKey of 2-butan-2-yl-6-(difluoromethyl)pyridine?
The InChIKey is MFCRRLJDYLYSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-3-7(2)8-5-4-6-9(13-8)10(11)12/h4-7,10H,3H2,1-2H3.
What are the key properties of 2-butan-2-yl-6-(difluoromethyl)pyridine?
2-butan-2-yl-6-(difluoromethyl)pyridine has a molecular weight of 185.22 g/mol, XLogP of 3.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-6-(difluoromethyl)pyridine is sourced from PubChem (CID 167246251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).