3-(1,1-difluoroethyl)-5-fluoro-3-methyl-6-propan-2-yl-2H-pyridine

C11H16F3N — CID 162618927

IUPAC3-(1,1-difluoroethyl)-5-fluoro-3-methyl-6-propan-2-yl-2H-pyridine
SMILESCC(C)C1=NCC(C)(C(C)(F)F)C=C1F
InChIInChI=1S/C11H16F3N/c1-7(2)9-8(12)5-10(3,6-15-9)11(4,13)14/h5,7H,6H2,1-4H3
InChIKeyDQBUGHKSWUAVTI-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.61
Rot. Bonds2

About 3-(1,1-difluoroethyl)-5-fluoro-3-methyl-6-propan-2-yl-2H-pyridine

3-(1,1-difluoroethyl)-5-fluoro-3-methyl-6-propan-2-yl-2H-pyridine (PubChem CID 162618927) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-fluoro-3-methyl-6-propan-2-yl-2H-pyridine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-fluoro-3-methyl-6-propan-2-yl-2H-pyridine
PubChem CID162618927
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name3-(1,1-difluoroethyl)-5-fluoro-3-methyl-6-propan-2-yl-2H-pyridine
SMILESCC(C)C1=NCC(C)(C(C)(F)F)C=C1F
InChIInChI=1S/C11H16F3N/c1-7(2)9-8(12)5-10(3,6-15-9)11(4,13)14/h5,7H,6H2,1-4H3
InChIKeyDQBUGHKSWUAVTI-UHFFFAOYSA-N
XLogP3.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-fluoro-3-methyl-6-propan-2-yl-2H-pyridine?
The IUPAC name of 3-(1,1-difluoroethyl)-5-fluoro-3-methyl-6-propan-2-yl-2H-pyridine (CID 162618927) is 3-(1,1-difluoroethyl)-5-fluoro-3-methyl-6-propan-2-yl-2H-pyridine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-fluoro-3-methyl-6-propan-2-yl-2H-pyridine?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-fluoro-3-methyl-6-propan-2-yl-2H-pyridine is CC(C)C1=NCC(C)(C(C)(F)F)C=C1F.
What is the InChIKey of 3-(1,1-difluoroethyl)-5-fluoro-3-methyl-6-propan-2-yl-2H-pyridine?
The InChIKey is DQBUGHKSWUAVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N/c1-7(2)9-8(12)5-10(3,6-15-9)11(4,13)14/h5,7H,6H2,1-4H3.
What are the key properties of 3-(1,1-difluoroethyl)-5-fluoro-3-methyl-6-propan-2-yl-2H-pyridine?
3-(1,1-difluoroethyl)-5-fluoro-3-methyl-6-propan-2-yl-2H-pyridine has a molecular weight of 219.25 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5-fluoro-3-methyl-6-propan-2-yl-2H-pyridine is sourced from PubChem (CID 162618927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).