3,3-difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine

C11H19F2N — CID 177353253

IUPAC3,3-difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine
SMILESCC(C)C1=CCN(C(C)C)CC1(F)F
InChIInChI=1S/C11H19F2N/c1-8(2)10-5-6-14(9(3)4)7-11(10,12)13/h5,8-9H,6-7H2,1-4H3
InChIKeyNAZLRCXIBWVIBJ-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.93
Rot. Bonds2

About 3,3-difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine

3,3-difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine (PubChem CID 177353253) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is 3,3-difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine.

Molecular Properties

Compound Name3,3-difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine
PubChem CID177353253
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3,3-difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine
SMILESCC(C)C1=CCN(C(C)C)CC1(F)F
InChIInChI=1S/C11H19F2N/c1-8(2)10-5-6-14(9(3)4)7-11(10,12)13/h5,8-9H,6-7H2,1-4H3
InChIKeyNAZLRCXIBWVIBJ-UHFFFAOYSA-N
XLogP2.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3,3-difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-fluoro-N-(2-methylpentyl)-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine
CID 87882851
4-ethyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 91452600
3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 117848997
6-(1,1-Difluoroethyl)-4-propan-2-yl-1,2,3,6-tetrahydropyridine
CID 118357208
4-Propan-2-yl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
CID 118697089
1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 122642786
5-tert-butyl-N-methyl-N-(2,2,2-trifluoroethyl)cyclohexa-2,4-dien-1-amine
CID 123386403
6-(2,2-Dimethylpropyl)-1,3-dimethyl-3-(2-methylprop-1-enyl)-4-(trifluoromethyl)-2,6-dihydropyridine
CID 123621058
1-propan-2-yl-4-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 127668747
N-[[6-methyl-4-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]methyl]-N-prop-2-enylpropan-2-amine
CID 138519121
1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 140596328
1-methyl-4-(1,1,2,2,2-pentafluoroethyl)-3,6-dihydro-2H-pyridine
CID 141918871

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine?
The IUPAC name of 3,3-difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine (CID 177353253) is 3,3-difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine.
What is the SMILES notation for 3,3-difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine?
The canonical SMILES for 3,3-difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine is CC(C)C1=CCN(C(C)C)CC1(F)F.
What is the InChIKey of 3,3-difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine?
The InChIKey is NAZLRCXIBWVIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N/c1-8(2)10-5-6-14(9(3)4)7-11(10,12)13/h5,8-9H,6-7H2,1-4H3.
What are the key properties of 3,3-difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine?
3,3-difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine has a molecular weight of 203.28 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1,4-di(propan-2-yl)-2,6-dihydropyridine is sourced from PubChem (CID 177353253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).