3,3-difluoro-1-propan-2-yl-2,6-dihydropyridine

C8H13F2N — CID 166157513

IUPAC3,3-difluoro-1-propan-2-yl-2,6-dihydropyridine
SMILESCC(C)N1CC=CC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-7(2)11-5-3-4-8(9,10)6-11/h3-4,7H,5-6H2,1-2H3
InChIKeyHLHOISYAANJMHF-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.90
Rot. Bonds1

About 3,3-difluoro-1-propan-2-yl-2,6-dihydropyridine

3,3-difluoro-1-propan-2-yl-2,6-dihydropyridine (PubChem CID 166157513) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 3,3-difluoro-1-propan-2-yl-2,6-dihydropyridine.

Molecular Properties

Compound Name3,3-difluoro-1-propan-2-yl-2,6-dihydropyridine
PubChem CID166157513
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name3,3-difluoro-1-propan-2-yl-2,6-dihydropyridine
SMILESCC(C)N1CC=CC(F)(F)C1
InChIInChI=1S/C8H13F2N/c1-7(2)11-5-3-4-8(9,10)6-11/h3-4,7H,5-6H2,1-2H3
InChIKeyHLHOISYAANJMHF-UHFFFAOYSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,2-Dimethyl-1,2,3,6-tetrahydropyridine
CID 565854
(r,s)-1,6-Dimethyl-1,2,3,6-tetrahydro-pyridine
CID 641109
Pyridine, 1,2,5,6-tetrahydro-1,2-dimethyl-
CID 565859
1,3,6-trimethyl-3,6-dihydro-2H-pyridine
CID 57699449
Diethyl-methyl-(6,6,6-trifluorohex-2-enyl)azanium
CID 54504163
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
1-fluoro-N-(1,1,2,2,2-pentafluoroethyl)-N-propylcyclohexa-2,4-dien-1-amine
CID 87882835
1-fluoro-N-methyl-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine
CID 88041910
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
(E)-N,N-diethyl-3-fluoropent-3-en-2-amine
CID 89168015
3,3-Difluoro-1-methyl-2,6-dihydropyridine
CID 118595142
1-Methyl-2-(trifluoromethyl)-2,5-dihydropyrrole
CID 123157362

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propan-2-yl-2,6-dihydropyridine?
The IUPAC name of 3,3-difluoro-1-propan-2-yl-2,6-dihydropyridine (CID 166157513) is 3,3-difluoro-1-propan-2-yl-2,6-dihydropyridine.
What is the SMILES notation for 3,3-difluoro-1-propan-2-yl-2,6-dihydropyridine?
The canonical SMILES for 3,3-difluoro-1-propan-2-yl-2,6-dihydropyridine is CC(C)N1CC=CC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-propan-2-yl-2,6-dihydropyridine?
The InChIKey is HLHOISYAANJMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c1-7(2)11-5-3-4-8(9,10)6-11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of 3,3-difluoro-1-propan-2-yl-2,6-dihydropyridine?
3,3-difluoro-1-propan-2-yl-2,6-dihydropyridine has a molecular weight of 161.19 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propan-2-yl-2,6-dihydropyridine is sourced from PubChem (CID 166157513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).