1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine

C10H17F2N — CID 176702205

IUPAC1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCN(CC(F)F)CC1
InChIInChI=1S/C10H17F2N/c1-8(2)9-3-5-13(6-4-9)7-10(11)12/h3,8,10H,4-7H2,1-2H3
InChIKeyDSHLMQMYPBSESG-UHFFFAOYSA-N
MW189.25 g/mol
LogP2.54
Rot. Bonds3

About 1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine

1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine (PubChem CID 176702205) has the molecular formula C10H17F2N and a molecular weight of 189.25 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
PubChem CID176702205
Molecular FormulaC10H17F2N
Molecular Weight189.25 g/mol
Exact Mass189.13
IUPAC Name1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine
SMILESCC(C)C1=CCN(CC(F)F)CC1
InChIInChI=1S/C10H17F2N/c1-8(2)9-3-5-13(6-4-9)7-10(11)12/h3,8,10H,4-7H2,1-2H3
InChIKeyDSHLMQMYPBSESG-UHFFFAOYSA-N
XLogP2.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 52.54
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-Methyl-4-tert-butyl-delta3-piperideine
CID 180571
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
4-methyl-1-[[1-(trifluoromethyl)cyclopropyl]methyl]-3,6-dihydro-2H-pyridine
CID 71114234
1-fluoro-N-(2-methylpentyl)-N-(1,1,2,2,2-pentafluoroethyl)cyclohexa-2,4-dien-1-amine
CID 87882851
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
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
1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 122642786
1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 126994799
3,5-Dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine
CID 134531065
1-(difluoromethyl)-4,5-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 140596328
1-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]piperidine
CID 140996572

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine (CID 176702205) is 1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine is CC(C)C1=CCN(CC(F)F)CC1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine?
The InChIKey is DSHLMQMYPBSESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N/c1-8(2)9-3-5-13(6-4-9)7-10(11)12/h3,8,10H,4-7H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine?
1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine has a molecular weight of 189.25 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-propan-2-yl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 176702205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).