6-(1,1-difluoroethyl)-3-methyl-3,4-dihydropyridine

C8H11F2N — CID 91226966

IUPAC6-(1,1-difluoroethyl)-3-methyl-3,4-dihydropyridine
SMILESCC1C=NC(C(C)(F)F)=CC1
InChIInChI=1S/C8H11F2N/c1-6-3-4-7(11-5-6)8(2,9)10/h4-6H,3H2,1-2H3
InChIKeyZDOJDXPRCFZDFD-UHFFFAOYSA-N
MW159.18 g/mol
LogP2.64
Rot. Bonds1

About 6-(1,1-difluoroethyl)-3-methyl-3,4-dihydropyridine

6-(1,1-difluoroethyl)-3-methyl-3,4-dihydropyridine (PubChem CID 91226966) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 6-(1,1-difluoroethyl)-3-methyl-3,4-dihydropyridine.

Molecular Properties

Compound Name6-(1,1-difluoroethyl)-3-methyl-3,4-dihydropyridine
PubChem CID91226966
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name6-(1,1-difluoroethyl)-3-methyl-3,4-dihydropyridine
SMILESCC1C=NC(C(C)(F)F)=CC1
InChIInChI=1S/C8H11F2N/c1-6-3-4-7(11-5-6)8(2,9)10/h4-6H,3H2,1-2H3
InChIKeyZDOJDXPRCFZDFD-UHFFFAOYSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3,3,4,4-Tetramethyl-6-(trifluoromethyl)pyridine
CID 67363537
3,4-Dimethyl-6-(trifluoromethyl)-3,4-dihydropyridine
CID 70320305
6-Methyl-3-(trifluoromethyl)-3,4-dihydropyridine
CID 89130189
3-Methyl-6-(trifluoromethyl)-3,4-dihydropyridine
CID 89136331
6-Methyl-4-(trifluoromethyl)-3,4-dihydropyridine
CID 89822863
3,3-dimethyl-6-(trifluoromethyl)-4H-pyridine
CID 89996702
4-fluoro-4,6-dimethyl-3H-pyridine
CID 123929608
3-Fluoro-4,6-dimethyl-3,4-dihydropyridine
CID 129196332
(Z)-2-propan-2-yl-N-(1,1,1-trifluorobut-2-en-2-yl)but-2-en-1-imine
CID 134374866
4-Methyl-6-(trifluoromethyl)-3,4-dihydropyridine
CID 135161345
(Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine
CID 139297390
4,6-Dimethyl-3-(trifluoromethyl)-3,4-dihydropyridine
CID 141794085

Frequently Asked Questions

What is the IUPAC name of 6-(1,1-difluoroethyl)-3-methyl-3,4-dihydropyridine?
The IUPAC name of 6-(1,1-difluoroethyl)-3-methyl-3,4-dihydropyridine (CID 91226966) is 6-(1,1-difluoroethyl)-3-methyl-3,4-dihydropyridine.
What is the SMILES notation for 6-(1,1-difluoroethyl)-3-methyl-3,4-dihydropyridine?
The canonical SMILES for 6-(1,1-difluoroethyl)-3-methyl-3,4-dihydropyridine is CC1C=NC(C(C)(F)F)=CC1.
What is the InChIKey of 6-(1,1-difluoroethyl)-3-methyl-3,4-dihydropyridine?
The InChIKey is ZDOJDXPRCFZDFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N/c1-6-3-4-7(11-5-6)8(2,9)10/h4-6H,3H2,1-2H3.
What are the key properties of 6-(1,1-difluoroethyl)-3-methyl-3,4-dihydropyridine?
6-(1,1-difluoroethyl)-3-methyl-3,4-dihydropyridine has a molecular weight of 159.18 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,1-difluoroethyl)-3-methyl-3,4-dihydropyridine is sourced from PubChem (CID 91226966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).