6-tert-butyl-3-fluoro-2,3,4,5-tetrahydropyridine

C9H16FN — CID 161144528

IUPAC6-tert-butyl-3-fluoro-2,3,4,5-tetrahydropyridine
SMILESCC(C)(C)C1=NCC(F)CC1
InChIInChI=1S/C9H16FN/c1-9(2,3)8-5-4-7(10)6-11-8/h7H,4-6H2,1-3H3
InChIKeyUNWINWURYDJOBG-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.61
Rot. Bonds

About 6-tert-butyl-3-fluoro-2,3,4,5-tetrahydropyridine

6-tert-butyl-3-fluoro-2,3,4,5-tetrahydropyridine (PubChem CID 161144528) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 6-tert-butyl-3-fluoro-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name6-tert-butyl-3-fluoro-2,3,4,5-tetrahydropyridine
PubChem CID161144528
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name6-tert-butyl-3-fluoro-2,3,4,5-tetrahydropyridine
SMILESCC(C)(C)C1=NCC(F)CC1
InChIInChI=1S/C9H16FN/c1-9(2,3)8-5-4-7(10)6-11-8/h7H,4-6H2,1-3H3
InChIKeyUNWINWURYDJOBG-UHFFFAOYSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

6-tert-Butyl-2,3,4,5-tetrahydropyridine
CID 546050
7-tert-Butyl-3,4,5,6(2H)-tetrahydroazepine
CID 574133
6-ethyl-3,3-dimethyl-4,5-dihydro-2H-pyridine
CID 91327757
1-Methyl-2-azaspiro[4.5]dec-1-ene
CID 101961579
2-Ethyl-4-(3-fluoro-3-methylbutyl)-2,3-dihydroazete
CID 89729185
(2S)-4-(3-fluoro-3-methylbutyl)-2-methyl-2,3-dihydroazete
CID 89729242
6-tert-butyl-3,3-difluoro-4,5-dihydro-2H-pyridine
CID 160165055
3-Tert-butyl-6-(trifluoromethyl)-2,3,4,5-tetrahydropyridine
CID 167284174
5-Fluoro-6-propan-2-yl-2,3,4,5-tetrahydropyridine
CID 172343921
6-butyl-5,5-dimethyl-3,4-dihydro-2H-pyridine
CID 11286681
3,3-Dimethyl-5-propyl-2,4-dihydropyrrole
CID 86038826
3-Propyl-2-azaspiro[4.5]dec-2-ene
CID 102196249

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3-fluoro-2,3,4,5-tetrahydropyridine?
The IUPAC name of 6-tert-butyl-3-fluoro-2,3,4,5-tetrahydropyridine (CID 161144528) is 6-tert-butyl-3-fluoro-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 6-tert-butyl-3-fluoro-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 6-tert-butyl-3-fluoro-2,3,4,5-tetrahydropyridine is CC(C)(C)C1=NCC(F)CC1.
What is the InChIKey of 6-tert-butyl-3-fluoro-2,3,4,5-tetrahydropyridine?
The InChIKey is UNWINWURYDJOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-9(2,3)8-5-4-7(10)6-11-8/h7H,4-6H2,1-3H3.
What are the key properties of 6-tert-butyl-3-fluoro-2,3,4,5-tetrahydropyridine?
6-tert-butyl-3-fluoro-2,3,4,5-tetrahydropyridine has a molecular weight of 157.23 g/mol, XLogP of 2.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3-fluoro-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 161144528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).