5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine

C11H20FN — CID 131175822

IUPAC5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCCC(C)C(C)N1CCC=C(F)C1
InChIInChI=1S/C11H20FN/c1-4-9(2)10(3)13-7-5-6-11(12)8-13/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyBGVAHVRCHGTZCG-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.98
Rot. Bonds3

About 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine

5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine (PubChem CID 131175822) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine
PubChem CID131175822
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine
SMILESCCC(C)C(C)N1CCC=C(F)C1
InChIInChI=1S/C11H20FN/c1-4-9(2)10(3)13-7-5-6-11(12)8-13/h6,9-10H,4-5,7-8H2,1-3H3
InChIKeyBGVAHVRCHGTZCG-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine (CID 131175822) is 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine is CCC(C)C(C)N1CCC=C(F)C1.
What is the InChIKey of 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is BGVAHVRCHGTZCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-4-9(2)10(3)13-7-5-6-11(12)8-13/h6,9-10H,4-5,7-8H2,1-3H3.
What are the key properties of 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine?
5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 185.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(3-methylpentan-2-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 131175822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).