3-(difluoromethoxy)-5-fluoro-2-propan-2-ylpyridine

C9H10F3NO — CID 176611270

IUPAC3-(difluoromethoxy)-5-fluoro-2-propan-2-ylpyridine
SMILESCC(C)c1ncc(F)cc1OC(F)F
InChIInChI=1S/C9H10F3NO/c1-5(2)8-7(14-9(11)12)3-6(10)4-13-8/h3-5,9H,1-2H3
InChIKeyDUCFEGXQHWAHRC-UHFFFAOYSA-N
MW205.18 g/mol
LogP2.95
Rot. Bonds3

About 3-(difluoromethoxy)-5-fluoro-2-propan-2-ylpyridine

3-(difluoromethoxy)-5-fluoro-2-propan-2-ylpyridine (PubChem CID 176611270) has the molecular formula C9H10F3NO and a molecular weight of 205.18 g/mol. Its IUPAC name is 3-(difluoromethoxy)-5-fluoro-2-propan-2-ylpyridine.

Molecular Properties

Compound Name3-(difluoromethoxy)-5-fluoro-2-propan-2-ylpyridine
PubChem CID176611270
Molecular FormulaC9H10F3NO
Molecular Weight205.18 g/mol
Exact Mass205.07
IUPAC Name3-(difluoromethoxy)-5-fluoro-2-propan-2-ylpyridine
SMILESCC(C)c1ncc(F)cc1OC(F)F
InChIInChI=1S/C9H10F3NO/c1-5(2)8-7(14-9(11)12)3-6(10)4-13-8/h3-5,9H,1-2H3
InChIKeyDUCFEGXQHWAHRC-UHFFFAOYSA-N
XLogP2.95
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-5-fluoro-2-propan-2-ylpyridine?
The IUPAC name of 3-(difluoromethoxy)-5-fluoro-2-propan-2-ylpyridine (CID 176611270) is 3-(difluoromethoxy)-5-fluoro-2-propan-2-ylpyridine.
What is the SMILES notation for 3-(difluoromethoxy)-5-fluoro-2-propan-2-ylpyridine?
The canonical SMILES for 3-(difluoromethoxy)-5-fluoro-2-propan-2-ylpyridine is CC(C)c1ncc(F)cc1OC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-5-fluoro-2-propan-2-ylpyridine?
The InChIKey is DUCFEGXQHWAHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO/c1-5(2)8-7(14-9(11)12)3-6(10)4-13-8/h3-5,9H,1-2H3.
What are the key properties of 3-(difluoromethoxy)-5-fluoro-2-propan-2-ylpyridine?
3-(difluoromethoxy)-5-fluoro-2-propan-2-ylpyridine has a molecular weight of 205.18 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-5-fluoro-2-propan-2-ylpyridine is sourced from PubChem (CID 176611270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).