6-fluoro-1-(4,4,4-trifluorobutyl)-2H-pyridine

C9H11F4N — CID 141328098

IUPAC6-fluoro-1-(4,4,4-trifluorobutyl)-2H-pyridine
SMILESFC1=CC=CCN1CCCC(F)(F)F
InChIInChI=1S/C9H11F4N/c10-8-4-1-2-6-14(8)7-3-5-9(11,12)13/h1-2,4H,3,5-7H2
InChIKeyUZFQQFPYWCOQFY-UHFFFAOYSA-N
MW209.19 g/mol
LogP3.01
Rot. Bonds3

About 6-fluoro-1-(4,4,4-trifluorobutyl)-2H-pyridine

6-fluoro-1-(4,4,4-trifluorobutyl)-2H-pyridine (PubChem CID 141328098) has the molecular formula C9H11F4N and a molecular weight of 209.19 g/mol. Its IUPAC name is 6-fluoro-1-(4,4,4-trifluorobutyl)-2H-pyridine.

Molecular Properties

Compound Name6-fluoro-1-(4,4,4-trifluorobutyl)-2H-pyridine
PubChem CID141328098
Molecular FormulaC9H11F4N
Molecular Weight209.19 g/mol
Exact Mass209.08
IUPAC Name6-fluoro-1-(4,4,4-trifluorobutyl)-2H-pyridine
SMILESFC1=CC=CCN1CCCC(F)(F)F
InChIInChI=1S/C9H11F4N/c10-8-4-1-2-6-14(8)7-3-5-9(11,12)13/h1-2,4H,3,5-7H2
InChIKeyUZFQQFPYWCOQFY-UHFFFAOYSA-N
XLogP3.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 53.01
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 6-fluoro-1-(4,4,4-trifluorobutyl)-2H-pyridine?
The IUPAC name of 6-fluoro-1-(4,4,4-trifluorobutyl)-2H-pyridine (CID 141328098) is 6-fluoro-1-(4,4,4-trifluorobutyl)-2H-pyridine.
What is the SMILES notation for 6-fluoro-1-(4,4,4-trifluorobutyl)-2H-pyridine?
The canonical SMILES for 6-fluoro-1-(4,4,4-trifluorobutyl)-2H-pyridine is FC1=CC=CCN1CCCC(F)(F)F.
What is the InChIKey of 6-fluoro-1-(4,4,4-trifluorobutyl)-2H-pyridine?
The InChIKey is UZFQQFPYWCOQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F4N/c10-8-4-1-2-6-14(8)7-3-5-9(11,12)13/h1-2,4H,3,5-7H2.
What are the key properties of 6-fluoro-1-(4,4,4-trifluorobutyl)-2H-pyridine?
6-fluoro-1-(4,4,4-trifluorobutyl)-2H-pyridine has a molecular weight of 209.19 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-(4,4,4-trifluorobutyl)-2H-pyridine is sourced from PubChem (CID 141328098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).