2-(difluoromethyl)-6-fluoropyridine

C6H4F3N — CID 18439388

IUPAC2-(difluoromethyl)-6-fluoropyridine
SMILESFc1cccc(C(F)F)n1
InChIInChI=1S/C6H4F3N/c7-5-3-1-2-4(10-5)6(8)9/h1-3,6H
InChIKeyTWYOANJAACUDQE-UHFFFAOYSA-N
MW147.10 g/mol
LogP2.16
Rot. Bonds1

About 2-(difluoromethyl)-6-fluoropyridine

2-(difluoromethyl)-6-fluoropyridine (PubChem CID 18439388) has the molecular formula C6H4F3N and a molecular weight of 147.10 g/mol. Its IUPAC name is 2-(difluoromethyl)-6-fluoropyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-6-fluoropyridine
PubChem CID18439388
Molecular FormulaC6H4F3N
Molecular Weight147.10 g/mol
Exact Mass147.03
IUPAC Name2-(difluoromethyl)-6-fluoropyridine
SMILESFc1cccc(C(F)F)n1
InChIInChI=1S/C6H4F3N/c7-5-3-1-2-4(10-5)6(8)9/h1-3,6H
InChIKeyTWYOANJAACUDQE-UHFFFAOYSA-N
XLogP2.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.10
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-6-fluoropyridine?
The IUPAC name of 2-(difluoromethyl)-6-fluoropyridine (CID 18439388) is 2-(difluoromethyl)-6-fluoropyridine.
What is the SMILES notation for 2-(difluoromethyl)-6-fluoropyridine?
The canonical SMILES for 2-(difluoromethyl)-6-fluoropyridine is Fc1cccc(C(F)F)n1.
What is the InChIKey of 2-(difluoromethyl)-6-fluoropyridine?
The InChIKey is TWYOANJAACUDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3N/c7-5-3-1-2-4(10-5)6(8)9/h1-3,6H.
What are the key properties of 2-(difluoromethyl)-6-fluoropyridine?
2-(difluoromethyl)-6-fluoropyridine has a molecular weight of 147.10 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-6-fluoropyridine is sourced from PubChem (CID 18439388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).