2,3,6-trifluoro-4-propan-2-ylpyridine

C8H8F3N — CID 155383026

IUPAC2,3,6-trifluoro-4-propan-2-ylpyridine
SMILESCC(C)c1cc(F)nc(F)c1F
InChIInChI=1S/C8H8F3N/c1-4(2)5-3-6(9)12-8(11)7(5)10/h3-4H,1-2H3
InChIKeyMWKOCFAGVVOBFU-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.62
Rot. Bonds1

About 2,3,6-trifluoro-4-propan-2-ylpyridine

2,3,6-trifluoro-4-propan-2-ylpyridine (PubChem CID 155383026) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is 2,3,6-trifluoro-4-propan-2-ylpyridine.

Molecular Properties

Compound Name2,3,6-trifluoro-4-propan-2-ylpyridine
PubChem CID155383026
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name2,3,6-trifluoro-4-propan-2-ylpyridine
SMILESCC(C)c1cc(F)nc(F)c1F
InChIInChI=1S/C8H8F3N/c1-4(2)5-3-6(9)12-8(11)7(5)10/h3-4H,1-2H3
InChIKeyMWKOCFAGVVOBFU-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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Related Compounds

3,6-difluoro-2-methyl-4-propan-2-ylpyridine
CID 159755748
3-bromo-6-fluoro-2,4-di(propan-2-yl)pyridine;ethane
CID 142522540
4-(difluoromethyl)-2,6-difluoro-3-methoxypyridine
CID 130099672
N-(2,3,6-trifluoro-4-pyridinyl)acetamide
CID 11229252
2-fluoro-3-propan-2-yl-6-(trifluoromethyl)pyridine
CID 165143812
2,3,5-trifluoro-6-methyl-4-[2-propan-2-yl-5-(trifluoromethyl)phenyl]pyridine
CID 170246272
4-fluoro-6-methyl-2-propan-2-ylpyrimidine
CID 173416420
2,3,6-trifluoro-5-propan-2-ylphenol
CID 58359018
1,5-dichloro-2-fluoro-3-propan-2-ylbenzene
CID 118361843
4-(difluoromethyl)-2,6-difluoropyridine-3-carbonitrile
CID 130099594
ethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 144749638
2,5-difluoro-3-propan-2-ylbicyclo[4.2.0]octa-1,3,5-triene
CID 170005770

Frequently Asked Questions

What is the IUPAC name of 2,3,6-trifluoro-4-propan-2-ylpyridine?
The IUPAC name of 2,3,6-trifluoro-4-propan-2-ylpyridine (CID 155383026) is 2,3,6-trifluoro-4-propan-2-ylpyridine.
What is the SMILES notation for 2,3,6-trifluoro-4-propan-2-ylpyridine?
The canonical SMILES for 2,3,6-trifluoro-4-propan-2-ylpyridine is CC(C)c1cc(F)nc(F)c1F.
What is the InChIKey of 2,3,6-trifluoro-4-propan-2-ylpyridine?
The InChIKey is MWKOCFAGVVOBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c1-4(2)5-3-6(9)12-8(11)7(5)10/h3-4H,1-2H3.
What are the key properties of 2,3,6-trifluoro-4-propan-2-ylpyridine?
2,3,6-trifluoro-4-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 2,3,6-trifluoro-4-propan-2-ylpyridine is sourced from PubChem (CID 155383026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).