3-(2,2-difluoroethoxy)-2-methylpyridine

C8H9F2NO — CID 131160464

IUPAC3-(2,2-difluoroethoxy)-2-methylpyridine
SMILESCc1ncccc1OCC(F)F
InChIInChI=1S/C8H9F2NO/c1-6-7(3-2-4-11-6)12-5-8(9)10/h2-4,8H,5H2,1H3
InChIKeyDRLRKGFJRUWQSI-UHFFFAOYSA-N
MW173.16 g/mol
LogP2.03
Rot. Bonds3

About 3-(2,2-difluoroethoxy)-2-methylpyridine

3-(2,2-difluoroethoxy)-2-methylpyridine (PubChem CID 131160464) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-2-methylpyridine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-2-methylpyridine
PubChem CID131160464
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name3-(2,2-difluoroethoxy)-2-methylpyridine
SMILESCc1ncccc1OCC(F)F
InChIInChI=1S/C8H9F2NO/c1-6-7(3-2-4-11-6)12-5-8(9)10/h2-4,8H,5H2,1H3
InChIKeyDRLRKGFJRUWQSI-UHFFFAOYSA-N
XLogP2.03
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-difluoroethoxy)-2-fluorobenzene
CID 64766194
1-(2,2-difluoroethoxy)-2-fluoro-3-methylbenzene
CID 104853711
3-(2,2-dimethylpropoxy)-2-methylpyridine;ethane
CID 143321750
ethane;2-methyl-3-propan-2-yloxypyridine
CID 169127278
2-methyl-3-(2-phenoxyethoxy)pyridine
CID 59416564
3-(difluoromethyl)-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline
CID 144783854
3-(6-bromohexoxy)-2-methylpyridine
CID 145360692
3-(difluoromethoxy)-N-methyl-2-[(2-methyl-3-pyridinyl)oxymethyl]aniline
CID 144784654
2-methyl-1-[(2-methyl-3-pyridinyl)oxy]butan-2-ol
CID 114496106
(2-methyl-3-pyridinyl) methanesulfonate
CID 119084020
3-[[(2R)-azetidin-2-yl]methoxy]-2-methylpyridine;dihydrochloride
CID 21309657
1-(2,2-difluoroethoxy)-2-phenylbenzene
CID 19593759

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-2-methylpyridine?
The IUPAC name of 3-(2,2-difluoroethoxy)-2-methylpyridine (CID 131160464) is 3-(2,2-difluoroethoxy)-2-methylpyridine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-2-methylpyridine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-2-methylpyridine is Cc1ncccc1OCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-2-methylpyridine?
The InChIKey is DRLRKGFJRUWQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-6-7(3-2-4-11-6)12-5-8(9)10/h2-4,8H,5H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-2-methylpyridine?
3-(2,2-difluoroethoxy)-2-methylpyridine has a molecular weight of 173.16 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-2-methylpyridine is sourced from PubChem (CID 131160464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).