2-(2,2-difluoroethoxy)-5-fluoro-4-methylpyridine;ethane

C10H14F3NO — CID 162359586

IUPAC2-(2,2-difluoroethoxy)-5-fluoro-4-methylpyridine;ethane
SMILESCC.Cc1cc(OCC(F)F)ncc1F
InChIInChI=1S/C8H8F3NO.C2H6/c1-5-2-8(12-3-6(5)9)13-4-7(10)11;1-2/h2-3,7H,4H2,1H3;1-2H3
InChIKeyPYYWQBVSMUOMBC-UHFFFAOYSA-N
MW221.22 g/mol
LogP3.20
Rot. Bonds3

About 2-(2,2-difluoroethoxy)-5-fluoro-4-methylpyridine;ethane

2-(2,2-difluoroethoxy)-5-fluoro-4-methylpyridine;ethane (PubChem CID 162359586) has the molecular formula C10H14F3NO and a molecular weight of 221.22 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-5-fluoro-4-methylpyridine;ethane.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-5-fluoro-4-methylpyridine;ethane
PubChem CID162359586
Molecular FormulaC10H14F3NO
Molecular Weight221.22 g/mol
Exact Mass221.10
IUPAC Name2-(2,2-difluoroethoxy)-5-fluoro-4-methylpyridine;ethane
SMILESCC.Cc1cc(OCC(F)F)ncc1F
InChIInChI=1S/C8H8F3NO.C2H6/c1-5-2-8(12-3-6(5)9)13-4-7(10)11;1-2/h2-3,7H,4H2,1H3;1-2H3
InChIKeyPYYWQBVSMUOMBC-UHFFFAOYSA-N
XLogP3.20
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,2-difluoroethoxy)-5-methyl-4-propan-2-ylpyridine
CID 165043952
5-chloro-2-(2,2-difluoroethoxy)pyridine
CID 82005471
2-(2,2-difluoroethoxy)-6-methylpyridin-4-amine
CID 137377727
2-[5-(2,2-difluoroethoxy)pyrazin-2-yl]ethynyl-trimethylsilane
CID 58303305
[5-(2,2-difluoroethoxy)pyrazin-2-yl]methanamine
CID 82004607
2-[6-(2,2-difluoroethoxy)-3-pyridinyl]ethanamine
CID 87770733
CID 123277456
CID 123277456
(5-fluoro-4-methyl-2-pyridinyl) thiohypochlorite
CID 146430443
3-bromo-5-(2,2-difluoroethoxy)-2-methylpyridine
CID 163242204
ethyl 6-(2,2-difluoroethoxy)pyridine-3-carboxylate
CID 103866910
5-fluoro-2-methoxy-4-methylsulfanylpyridine
CID 147316298
2,4-bis(2,2-difluoroethoxy)-1,3,5-trifluorobenzene
CID 155575031

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-5-fluoro-4-methylpyridine;ethane?
The IUPAC name of 2-(2,2-difluoroethoxy)-5-fluoro-4-methylpyridine;ethane (CID 162359586) is 2-(2,2-difluoroethoxy)-5-fluoro-4-methylpyridine;ethane.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-5-fluoro-4-methylpyridine;ethane?
The canonical SMILES for 2-(2,2-difluoroethoxy)-5-fluoro-4-methylpyridine;ethane is CC.Cc1cc(OCC(F)F)ncc1F.
What is the InChIKey of 2-(2,2-difluoroethoxy)-5-fluoro-4-methylpyridine;ethane?
The InChIKey is PYYWQBVSMUOMBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO.C2H6/c1-5-2-8(12-3-6(5)9)13-4-7(10)11;1-2/h2-3,7H,4H2,1H3;1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-5-fluoro-4-methylpyridine;ethane?
2-(2,2-difluoroethoxy)-5-fluoro-4-methylpyridine;ethane has a molecular weight of 221.22 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-5-fluoro-4-methylpyridine;ethane is sourced from PubChem (CID 162359586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).