2,4,5-trifluoro-3-propan-2-ylpyridine

C8H8F3N — CID 142438330

IUPAC2,4,5-trifluoro-3-propan-2-ylpyridine
SMILESCC(C)c1c(F)ncc(F)c1F
InChIInChI=1S/C8H8F3N/c1-4(2)6-7(10)5(9)3-12-8(6)11/h3-4H,1-2H3
InChIKeyVVZJNTZREZRFBJ-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.62
Rot. Bonds1

About 2,4,5-trifluoro-3-propan-2-ylpyridine

2,4,5-trifluoro-3-propan-2-ylpyridine (PubChem CID 142438330) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is 2,4,5-trifluoro-3-propan-2-ylpyridine.

Molecular Properties

Compound Name2,4,5-trifluoro-3-propan-2-ylpyridine
PubChem CID142438330
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name2,4,5-trifluoro-3-propan-2-ylpyridine
SMILESCC(C)c1c(F)ncc(F)c1F
InChIInChI=1S/C8H8F3N/c1-4(2)6-7(10)5(9)3-12-8(6)11/h3-4H,1-2H3
InChIKeyVVZJNTZREZRFBJ-UHFFFAOYSA-N
XLogP2.62
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.62
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 2,4,5-trifluoro-3-propan-2-ylpyridine?
The IUPAC name of 2,4,5-trifluoro-3-propan-2-ylpyridine (CID 142438330) is 2,4,5-trifluoro-3-propan-2-ylpyridine.
What is the SMILES notation for 2,4,5-trifluoro-3-propan-2-ylpyridine?
The canonical SMILES for 2,4,5-trifluoro-3-propan-2-ylpyridine is CC(C)c1c(F)ncc(F)c1F.
What is the InChIKey of 2,4,5-trifluoro-3-propan-2-ylpyridine?
The InChIKey is VVZJNTZREZRFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c1-4(2)6-7(10)5(9)3-12-8(6)11/h3-4H,1-2H3.
What are the key properties of 2,4,5-trifluoro-3-propan-2-ylpyridine?
2,4,5-trifluoro-3-propan-2-ylpyridine has a molecular weight of 175.15 g/mol, XLogP of 2.62, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trifluoro-3-propan-2-ylpyridine is sourced from PubChem (CID 142438330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).