1-tert-butyl-5-fluoro-3,6-dihydro-2H-pyridine

C9H16FN — CID 138668536

IUPAC1-tert-butyl-5-fluoro-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)N1CCC=C(F)C1
InChIInChI=1S/C9H16FN/c1-9(2,3)11-6-4-5-8(10)7-11/h5H,4,6-7H2,1-3H3
InChIKeyNXVWGRHTHPEBMX-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.34
Rot. Bonds

About 1-tert-butyl-5-fluoro-3,6-dihydro-2H-pyridine

1-tert-butyl-5-fluoro-3,6-dihydro-2H-pyridine (PubChem CID 138668536) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 1-tert-butyl-5-fluoro-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-tert-butyl-5-fluoro-3,6-dihydro-2H-pyridine
PubChem CID138668536
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name1-tert-butyl-5-fluoro-3,6-dihydro-2H-pyridine
SMILESCC(C)(C)N1CCC=C(F)C1
InChIInChI=1S/C9H16FN/c1-9(2,3)11-6-4-5-8(10)7-11/h5H,4,6-7H2,1-3H3
InChIKeyNXVWGRHTHPEBMX-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-fluoro-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-tert-butyl-5-fluoro-3,6-dihydro-2H-pyridine (CID 138668536) is 1-tert-butyl-5-fluoro-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-tert-butyl-5-fluoro-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-tert-butyl-5-fluoro-3,6-dihydro-2H-pyridine is CC(C)(C)N1CCC=C(F)C1.
What is the InChIKey of 1-tert-butyl-5-fluoro-3,6-dihydro-2H-pyridine?
The InChIKey is NXVWGRHTHPEBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-9(2,3)11-6-4-5-8(10)7-11/h5H,4,6-7H2,1-3H3.
What are the key properties of 1-tert-butyl-5-fluoro-3,6-dihydro-2H-pyridine?
1-tert-butyl-5-fluoro-3,6-dihydro-2H-pyridine has a molecular weight of 157.23 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-fluoro-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 138668536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).