6-(1,1-difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine

C11H16F3N — CID 162583642

IUPAC6-(1,1-difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine
SMILESCC1CC(F)=C(C(C)C)C(C(C)(F)F)=N1
InChIInChI=1S/C11H16F3N/c1-6(2)9-8(12)5-7(3)15-10(9)11(4,13)14/h6-7H,5H2,1-4H3
InChIKeyFRJGXKRSILTRRU-UHFFFAOYSA-N
MW219.25 g/mol
LogP3.75
Rot. Bonds2

About 6-(1,1-difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine

6-(1,1-difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine (PubChem CID 162583642) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine
PubChem CID162583642
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC Name6-(1,1-difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine
SMILESCC1CC(F)=C(C(C)C)C(C(C)(F)F)=N1
InChIInChI=1S/C11H16F3N/c1-6(2)9-8(12)5-7(3)15-10(9)11(4,13)14/h6-7H,5H2,1-4H3
InChIKeyFRJGXKRSILTRRU-UHFFFAOYSA-N
XLogP3.75
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 ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine?
The IUPAC name of 6-(1,1-difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine (CID 162583642) is 6-(1,1-difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine.
What is the SMILES notation for 6-(1,1-difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine?
The canonical SMILES for 6-(1,1-difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine is CC1CC(F)=C(C(C)C)C(C(C)(F)F)=N1.
What is the InChIKey of 6-(1,1-difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine?
The InChIKey is FRJGXKRSILTRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N/c1-6(2)9-8(12)5-7(3)15-10(9)11(4,13)14/h6-7H,5H2,1-4H3.
What are the key properties of 6-(1,1-difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine?
6-(1,1-difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine has a molecular weight of 219.25 g/mol, XLogP of 3.75, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-4-fluoro-2-methyl-5-propan-2-yl-2,3-dihydropyridine is sourced from PubChem (CID 162583642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).