2,3-difluoro-3-(trifluoromethyl)-2H-pyridine

C6H4F5N — CID 88634232

IUPAC2,3-difluoro-3-(trifluoromethyl)-2H-pyridine
SMILESFC1N=CC=CC1(F)C(F)(F)F
InChIInChI=1S/C6H4F5N/c7-4-5(8,6(9,10)11)2-1-3-12-4/h1-4H
InChIKeyBELICDRBDXZSLD-UHFFFAOYSA-N
MW185.10 g/mol
LogP2.19
Rot. Bonds

About 2,3-difluoro-3-(trifluoromethyl)-2H-pyridine

2,3-difluoro-3-(trifluoromethyl)-2H-pyridine (PubChem CID 88634232) has the molecular formula C6H4F5N and a molecular weight of 185.10 g/mol. Its IUPAC name is 2,3-difluoro-3-(trifluoromethyl)-2H-pyridine.

Molecular Properties

Compound Name2,3-difluoro-3-(trifluoromethyl)-2H-pyridine
PubChem CID88634232
Molecular FormulaC6H4F5N
Molecular Weight185.10 g/mol
Exact Mass185.03
IUPAC Name2,3-difluoro-3-(trifluoromethyl)-2H-pyridine
SMILESFC1N=CC=CC1(F)C(F)(F)F
InChIInChI=1S/C6H4F5N/c7-4-5(8,6(9,10)11)2-1-3-12-4/h1-4H
InChIKeyBELICDRBDXZSLD-UHFFFAOYSA-N
XLogP2.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.10
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-3-(trifluoromethyl)-2H-pyridine?
The IUPAC name of 2,3-difluoro-3-(trifluoromethyl)-2H-pyridine (CID 88634232) is 2,3-difluoro-3-(trifluoromethyl)-2H-pyridine.
What is the SMILES notation for 2,3-difluoro-3-(trifluoromethyl)-2H-pyridine?
The canonical SMILES for 2,3-difluoro-3-(trifluoromethyl)-2H-pyridine is FC1N=CC=CC1(F)C(F)(F)F.
What is the InChIKey of 2,3-difluoro-3-(trifluoromethyl)-2H-pyridine?
The InChIKey is BELICDRBDXZSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F5N/c7-4-5(8,6(9,10)11)2-1-3-12-4/h1-4H.
What are the key properties of 2,3-difluoro-3-(trifluoromethyl)-2H-pyridine?
2,3-difluoro-3-(trifluoromethyl)-2H-pyridine has a molecular weight of 185.10 g/mol, XLogP of 2.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-3-(trifluoromethyl)-2H-pyridine is sourced from PubChem (CID 88634232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).