3-(1,1-difluoroethoxymethyl)pyridine

C8H9F2NO — CID 90124962

IUPAC3-(1,1-difluoroethoxymethyl)pyridine
SMILESCC(F)(F)OCc1cccnc1
InChIInChI=1S/C8H9F2NO/c1-8(9,10)12-6-7-3-2-4-11-5-7/h2-5H,6H2,1H3
InChIKeyKCFFOPRVEDPBIH-UHFFFAOYSA-N
MW173.16 g/mol
LogP2.21
Rot. Bonds3

About 3-(1,1-difluoroethoxymethyl)pyridine

3-(1,1-difluoroethoxymethyl)pyridine (PubChem CID 90124962) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 3-(1,1-difluoroethoxymethyl)pyridine.

Molecular Properties

Compound Name3-(1,1-difluoroethoxymethyl)pyridine
PubChem CID90124962
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name3-(1,1-difluoroethoxymethyl)pyridine
SMILESCC(F)(F)OCc1cccnc1
InChIInChI=1S/C8H9F2NO/c1-8(9,10)12-6-7-3-2-4-11-5-7/h2-5H,6H2,1H3
InChIKeyKCFFOPRVEDPBIH-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3,3-dimethylbutoxymethyl)pyridine
CID 154991745
2-methoxy-2-(pyridin-3-ylmethoxy)propanamide
CID 57156045
trimethyl(pyridin-3-ylmethoxy)silane
CID 11063032
3-(2,2-dimethylpropyl)pyridine;methane
CID 160666805
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
3,3-dimethyl-1-(pyridin-3-ylmethoxy)butan-2-one
CID 129255792
2-methyl-1-(pyridin-3-ylmethoxy)butan-2-amine
CID 64572514
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
methyl-methylidene-(pyridin-3-ylmethoxy)-λ4-sulfane
CID 123636618
3-ethylpyridine
CID 10823
pyridin-3-ylmethyl (2S)-2,3-diamino-2-methyl-3-oxopropanoate
CID 69135337
3-methoxy-3-methyl-1-pyridin-3-ylbutan-2-ol
CID 104736155

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethoxymethyl)pyridine?
The IUPAC name of 3-(1,1-difluoroethoxymethyl)pyridine (CID 90124962) is 3-(1,1-difluoroethoxymethyl)pyridine.
What is the SMILES notation for 3-(1,1-difluoroethoxymethyl)pyridine?
The canonical SMILES for 3-(1,1-difluoroethoxymethyl)pyridine is CC(F)(F)OCc1cccnc1.
What is the InChIKey of 3-(1,1-difluoroethoxymethyl)pyridine?
The InChIKey is KCFFOPRVEDPBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-8(9,10)12-6-7-3-2-4-11-5-7/h2-5H,6H2,1H3.
What are the key properties of 3-(1,1-difluoroethoxymethyl)pyridine?
3-(1,1-difluoroethoxymethyl)pyridine has a molecular weight of 173.16 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethoxymethyl)pyridine is sourced from PubChem (CID 90124962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).