2-(difluoromethyl)-3-fluoro-5-(fluoromethyl)pyridine

C7H5F4N — CID 130096365

IUPAC2-(difluoromethyl)-3-fluoro-5-(fluoromethyl)pyridine
SMILESFCc1cnc(C(F)F)c(F)c1
InChIInChI=1S/C7H5F4N/c8-2-4-1-5(9)6(7(10)11)12-3-4/h1,3,7H,2H2
InChIKeyKJNMRAFAMKZFFJ-UHFFFAOYSA-N
MW179.12 g/mol
LogP2.63
Rot. Bonds2

About 2-(difluoromethyl)-3-fluoro-5-(fluoromethyl)pyridine

2-(difluoromethyl)-3-fluoro-5-(fluoromethyl)pyridine (PubChem CID 130096365) has the molecular formula C7H5F4N and a molecular weight of 179.12 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-fluoro-5-(fluoromethyl)pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-3-fluoro-5-(fluoromethyl)pyridine
PubChem CID130096365
Molecular FormulaC7H5F4N
Molecular Weight179.12 g/mol
Exact Mass179.04
IUPAC Name2-(difluoromethyl)-3-fluoro-5-(fluoromethyl)pyridine
SMILESFCc1cnc(C(F)F)c(F)c1
InChIInChI=1S/C7H5F4N/c8-2-4-1-5(9)6(7(10)11)12-3-4/h1,3,7H,2H2
InChIKeyKJNMRAFAMKZFFJ-UHFFFAOYSA-N
XLogP2.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.12
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-fluoro-5-(fluoromethyl)pyridine?
The IUPAC name of 2-(difluoromethyl)-3-fluoro-5-(fluoromethyl)pyridine (CID 130096365) is 2-(difluoromethyl)-3-fluoro-5-(fluoromethyl)pyridine.
What is the SMILES notation for 2-(difluoromethyl)-3-fluoro-5-(fluoromethyl)pyridine?
The canonical SMILES for 2-(difluoromethyl)-3-fluoro-5-(fluoromethyl)pyridine is FCc1cnc(C(F)F)c(F)c1.
What is the InChIKey of 2-(difluoromethyl)-3-fluoro-5-(fluoromethyl)pyridine?
The InChIKey is KJNMRAFAMKZFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F4N/c8-2-4-1-5(9)6(7(10)11)12-3-4/h1,3,7H,2H2.
What are the key properties of 2-(difluoromethyl)-3-fluoro-5-(fluoromethyl)pyridine?
2-(difluoromethyl)-3-fluoro-5-(fluoromethyl)pyridine has a molecular weight of 179.12 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-fluoro-5-(fluoromethyl)pyridine is sourced from PubChem (CID 130096365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).