1-butan-2-yl-4-fluoro-3,6-dihydro-2H-pyridine

C9H16FN — CID 177033440

IUPAC1-butan-2-yl-4-fluoro-3,6-dihydro-2H-pyridine
SMILESCCC(C)N1CC=C(F)CC1
InChIInChI=1S/C9H16FN/c1-3-8(2)11-6-4-9(10)5-7-11/h4,8H,3,5-7H2,1-2H3
InChIKeyHFYWSPYTGNKYMI-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.34
Rot. Bonds2

About 1-butan-2-yl-4-fluoro-3,6-dihydro-2H-pyridine

1-butan-2-yl-4-fluoro-3,6-dihydro-2H-pyridine (PubChem CID 177033440) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 1-butan-2-yl-4-fluoro-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-butan-2-yl-4-fluoro-3,6-dihydro-2H-pyridine
PubChem CID177033440
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name1-butan-2-yl-4-fluoro-3,6-dihydro-2H-pyridine
SMILESCCC(C)N1CC=C(F)CC1
InChIInChI=1S/C9H16FN/c1-3-8(2)11-6-4-9(10)5-7-11/h4,8H,3,5-7H2,1-2H3
InChIKeyHFYWSPYTGNKYMI-UHFFFAOYSA-N
XLogP2.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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-butan-2-yl-4-fluoro-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-butan-2-yl-4-fluoro-3,6-dihydro-2H-pyridine (CID 177033440) is 1-butan-2-yl-4-fluoro-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-butan-2-yl-4-fluoro-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-butan-2-yl-4-fluoro-3,6-dihydro-2H-pyridine is CCC(C)N1CC=C(F)CC1.
What is the InChIKey of 1-butan-2-yl-4-fluoro-3,6-dihydro-2H-pyridine?
The InChIKey is HFYWSPYTGNKYMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-3-8(2)11-6-4-9(10)5-7-11/h4,8H,3,5-7H2,1-2H3.
What are the key properties of 1-butan-2-yl-4-fluoro-3,6-dihydro-2H-pyridine?
1-butan-2-yl-4-fluoro-3,6-dihydro-2H-pyridine has a molecular weight of 157.23 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-fluoro-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 177033440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).