1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine

C12H21F2N — CID 140596328

IUPAC1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=C(C(C)C)CN(C(F)F)CC1
InChIInChI=1S/C12H21F2N/c1-8(2)10-5-6-15(12(13)14)7-11(10)9(3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyRGUQUAILZPHEGU-UHFFFAOYSA-N
MW217.30 g/mol
LogP3.52
Rot. Bonds3

About 1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine

1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 140596328) has the molecular formula C12H21F2N and a molecular weight of 217.30 g/mol. Its IUPAC name is 1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID140596328
Molecular FormulaC12H21F2N
Molecular Weight217.30 g/mol
Exact Mass217.16
IUPAC Name1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=C(C(C)C)CN(C(F)F)CC1
InChIInChI=1S/C12H21F2N/c1-8(2)10-5-6-15(12(13)14)7-11(10)9(3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyRGUQUAILZPHEGU-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 117848997
1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 122642786
1-(Difluoromethyl)-3,4-di(propan-2-yl)-2,5-dihydropyrrole
CID 140596337
3-fluoro-1-methyl-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 145646345
4-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 155484976
4-tert-butyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 162475450
1-(2,2-Difluoroethyl)-5-propan-2-yl-2,3,4,7-tetrahydroazepine
CID 172496814
1-methyl-5-propan-2-yl-3-(trifluoromethyl)-3,6-dihydro-2H-pyridine
CID 174169056
5-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 174282058
1-ethyl-5-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 174295585
1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 176702205
5-propan-2-yl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 176931960

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine (CID 140596328) is 1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine is CC(C)C1=C(C(C)C)CN(C(F)F)CC1.
What is the InChIKey of 1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is RGUQUAILZPHEGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N/c1-8(2)10-5-6-15(12(13)14)7-11(10)9(3)4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine?
1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 217.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 140596328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).