2-(difluoromethyl)-6-(fluoromethyl)-4-methylpyridine

C8H8F3N — CID 130097632

IUPAC2-(difluoromethyl)-6-(fluoromethyl)-4-methylpyridine
SMILESCc1cc(CF)nc(C(F)F)c1
InChIInChI=1S/C8H8F3N/c1-5-2-6(4-9)12-7(3-5)8(10)11/h2-3,8H,4H2,1H3
InChIKeyHTTJQPTUQMWEPT-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.80
Rot. Bonds2

About 2-(difluoromethyl)-6-(fluoromethyl)-4-methylpyridine

2-(difluoromethyl)-6-(fluoromethyl)-4-methylpyridine (PubChem CID 130097632) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-(fluoromethyl)-4-methylpyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-6-(fluoromethyl)-4-methylpyridine
PubChem CID130097632
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name2-(difluoromethyl)-6-(fluoromethyl)-4-methylpyridine
SMILESCc1cc(CF)nc(C(F)F)c1
InChIInChI=1S/C8H8F3N/c1-5-2-6(4-9)12-7(3-5)8(10)11/h2-3,8H,4H2,1H3
InChIKeyHTTJQPTUQMWEPT-UHFFFAOYSA-N
XLogP2.80
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-(fluoromethyl)-4-methylpyridine?
The IUPAC name of 2-(difluoromethyl)-6-(fluoromethyl)-4-methylpyridine (CID 130097632) is 2-(difluoromethyl)-6-(fluoromethyl)-4-methylpyridine.
What is the SMILES notation for 2-(difluoromethyl)-6-(fluoromethyl)-4-methylpyridine?
The canonical SMILES for 2-(difluoromethyl)-6-(fluoromethyl)-4-methylpyridine is Cc1cc(CF)nc(C(F)F)c1.
What is the InChIKey of 2-(difluoromethyl)-6-(fluoromethyl)-4-methylpyridine?
The InChIKey is HTTJQPTUQMWEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c1-5-2-6(4-9)12-7(3-5)8(10)11/h2-3,8H,4H2,1H3.
What are the key properties of 2-(difluoromethyl)-6-(fluoromethyl)-4-methylpyridine?
2-(difluoromethyl)-6-(fluoromethyl)-4-methylpyridine has a molecular weight of 175.15 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-(fluoromethyl)-4-methylpyridine is sourced from PubChem (CID 130097632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).