6-(1,1-difluoroethyl)-3-methyl-1,2-dihydropyridine

C8H11F2N — CID 122429849

IUPAC6-(1,1-difluoroethyl)-3-methyl-1,2-dihydropyridine
SMILESCC1=CC=C(C(C)(F)F)NC1
InChIInChI=1S/C8H11F2N/c1-6-3-4-7(11-5-6)8(2,9)10/h3-4,11H,5H2,1-2H3
InChIKeyLAKSAJNHTGOYHV-UHFFFAOYSA-N
MW159.18 g/mol
LogP2.08
Rot. Bonds1

About 6-(1,1-difluoroethyl)-3-methyl-1,2-dihydropyridine

6-(1,1-difluoroethyl)-3-methyl-1,2-dihydropyridine (PubChem CID 122429849) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-3-methyl-1,2-dihydropyridine.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-3-methyl-1,2-dihydropyridine
PubChem CID122429849
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name6-(1,1-difluoroethyl)-3-methyl-1,2-dihydropyridine
SMILESCC1=CC=C(C(C)(F)F)NC1
InChIInChI=1S/C8H11F2N/c1-6-3-4-7(11-5-6)8(2,9)10/h3-4,11H,5H2,1-2H3
InChIKeyLAKSAJNHTGOYHV-UHFFFAOYSA-N
XLogP2.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-3-methyl-1,2-dihydropyridine?
The IUPAC name of 6-(1,1-difluoroethyl)-3-methyl-1,2-dihydropyridine (CID 122429849) is 6-(1,1-difluoroethyl)-3-methyl-1,2-dihydropyridine.
What is the SMILES notation for 6-(1,1-difluoroethyl)-3-methyl-1,2-dihydropyridine?
The canonical SMILES for 6-(1,1-difluoroethyl)-3-methyl-1,2-dihydropyridine is CC1=CC=C(C(C)(F)F)NC1.
What is the InChIKey of 6-(1,1-difluoroethyl)-3-methyl-1,2-dihydropyridine?
The InChIKey is LAKSAJNHTGOYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N/c1-6-3-4-7(11-5-6)8(2,9)10/h3-4,11H,5H2,1-2H3.
What are the key properties of 6-(1,1-difluoroethyl)-3-methyl-1,2-dihydropyridine?
6-(1,1-difluoroethyl)-3-methyl-1,2-dihydropyridine has a molecular weight of 159.18 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-3-methyl-1,2-dihydropyridine is sourced from PubChem (CID 122429849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).