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

C11H20FN — CID 153307987

IUPAC5-fluoro-1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine
SMILESCC(C)C1CCN(C(C)C)C=C1F
InChIInChI=1S/C11H20FN/c1-8(2)10-5-6-13(9(3)4)7-11(10)12/h7-10H,5-6H2,1-4H3
InChIKeyQHWSKWZOYQYWQT-UHFFFAOYSA-N
MW185.29 g/mol
LogP3.18
Rot. Bonds2

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

5-fluoro-1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine (PubChem CID 153307987) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 5-fluoro-1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine
PubChem CID153307987
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name5-fluoro-1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine
SMILESCC(C)C1CCN(C(C)C)C=C1F
InChIInChI=1S/C11H20FN/c1-8(2)10-5-6-13(9(3)4)7-11(10)12/h7-10H,5-6H2,1-4H3
InChIKeyQHWSKWZOYQYWQT-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine (CID 153307987) is 5-fluoro-1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine is CC(C)C1CCN(C(C)C)C=C1F.
What is the InChIKey of 5-fluoro-1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
The InChIKey is QHWSKWZOYQYWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-8(2)10-5-6-13(9(3)4)7-11(10)12/h7-10H,5-6H2,1-4H3.
What are the key properties of 5-fluoro-1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine?
5-fluoro-1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine has a molecular weight of 185.29 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,4-di(propan-2-yl)-3,4-dihydro-2H-pyridine is sourced from PubChem (CID 153307987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).