4-tert-butyl-1-(2-fluoroethyl)-3,6-dihydro-2H-pyridine

C11H20FN — CID 130622205

IUPAC4-tert-butyl-1-(2-fluoroethyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)C1=CCN(CCF)CC1
InChIInChI=1S/C11H20FN/c1-11(2,3)10-4-7-13(8-5-10)9-6-12/h4H,5-9H2,1-3H3
InChIKeyHPKCNYMADVVFTO-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.63
Rot. Bonds2

About 4-tert-butyl-1-(2-fluoroethyl)-3,6-dihydro-2H-pyridine

4-tert-butyl-1-(2-fluoroethyl)-3,6-dihydro-2H-pyridine (PubChem CID 130622205) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 4-tert-butyl-1-(2-fluoroethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-tert-butyl-1-(2-fluoroethyl)-3,6-dihydro-2H-pyridine
PubChem CID130622205
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name4-tert-butyl-1-(2-fluoroethyl)-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)C1=CCN(CCF)CC1
InChIInChI=1S/C11H20FN/c1-11(2,3)10-4-7-13(8-5-10)9-6-12/h4H,5-9H2,1-3H3
InChIKeyHPKCNYMADVVFTO-UHFFFAOYSA-N
XLogP2.63
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.63
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
3-fluoro-1,4-di(propan-2-yl)-3,6-dihydro-2H-pyridine
CID 117848997
1-[[1-(1,1-difluoroethyl)cyclopropyl]methyl]-4-methyl-3,6-dihydro-2H-pyridine
CID 118500396
1-ethyl-3-fluoro-4-propan-2-yl-3,6-dihydro-2H-pyridine
CID 122642786
6-(2,2-Dimethylpropyl)-1,3-dimethyl-3-(2-methylprop-1-enyl)-4-(trifluoromethyl)-2,6-dihydropyridine
CID 123621058
1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 131199791
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
3-Fluoro-1-methyl-5-propan-2-yl-2,3,4,7-tetrahydroazepine
CID 172496550
(3R)-3-fluoro-1-methyl-5-propan-2-yl-2,3,4,7-tetrahydroazepine
CID 172496573
(3S)-3-fluoro-1-methyl-5-propan-2-yl-2,3,4,7-tetrahydroazepine
CID 172496829

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2-fluoroethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-tert-butyl-1-(2-fluoroethyl)-3,6-dihydro-2H-pyridine (CID 130622205) is 4-tert-butyl-1-(2-fluoroethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-tert-butyl-1-(2-fluoroethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-tert-butyl-1-(2-fluoroethyl)-3,6-dihydro-2H-pyridine is CC(C)(C)C1=CCN(CCF)CC1.
What is the InChIKey of 4-tert-butyl-1-(2-fluoroethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is HPKCNYMADVVFTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-11(2,3)10-4-7-13(8-5-10)9-6-12/h4H,5-9H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(2-fluoroethyl)-3,6-dihydro-2H-pyridine?
4-tert-butyl-1-(2-fluoroethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 185.29 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2-fluoroethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 130622205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).