4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine

C8H2F9NO — CID 118828825

IUPAC4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESFc1nc(OC(F)(F)F)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H2F9NO/c9-5(10)2-1-3(19-8(15,16)17)18-6(11)4(2)7(12,13)14/h1,5H
InChIKeyIJZLKHDLLSMANB-UHFFFAOYSA-N
MW299.09 g/mol
LogP4.08
Rot. Bonds2

About 4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine

4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (PubChem CID 118828825) has the molecular formula C8H2F9NO and a molecular weight of 299.09 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
PubChem CID118828825
Molecular FormulaC8H2F9NO
Molecular Weight299.09 g/mol
Exact Mass299.00
IUPAC Name4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
SMILESFc1nc(OC(F)(F)F)cc(C(F)F)c1C(F)(F)F
InChIInChI=1S/C8H2F9NO/c9-5(10)2-1-3(19-8(15,16)17)18-6(11)4(2)7(12,13)14/h1,5H
InChIKeyIJZLKHDLLSMANB-UHFFFAOYSA-N
XLogP4.08
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.09
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(difluoromethyl)-2-fluoro-3-iodo-6-(trifluoromethoxy)pyridine
CID 118812829
2-(bromomethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134682392
4-(difluoromethyl)-3-fluoro-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134665522
4-(difluoromethyl)-3-fluoro-2-iodo-6-(trifluoromethoxy)pyridine
CID 118851432
3-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridin-4-amine
CID 118823425
4-(difluoromethyl)-2-fluoro-6-methoxy-3-(trifluoromethoxy)pyridine
CID 118801347
4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)pyridine-2-carbaldehyde
CID 118812828
3-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine
CID 134675956
4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridin-3-ol
CID 118823942
4-(difluoromethyl)-2-iodo-3-methoxy-6-(trifluoromethoxy)pyridine
CID 118823728
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile
CID 118817542
4-(difluoromethyl)-2-iodo-6-(trifluoromethoxy)pyridine-3-carbaldehyde
CID 118851687

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The IUPAC name of 4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine (CID 118828825) is 4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine.
What is the SMILES notation for 4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The canonical SMILES for 4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is Fc1nc(OC(F)(F)F)cc(C(F)F)c1C(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
The InChIKey is IJZLKHDLLSMANB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F9NO/c9-5(10)2-1-3(19-8(15,16)17)18-6(11)4(2)7(12,13)14/h1,5H.
What are the key properties of 4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine?
4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine has a molecular weight of 299.09 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine is sourced from PubChem (CID 118828825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).