5-(3-fluorocyclobutyl)-1,2-dihydropyridine

C9H12FN — CID 175717532

IUPAC5-(3-fluorocyclobutyl)-1,2-dihydropyridine
SMILESFC1CC(C2=CNCC=C2)C1
InChIInChI=1S/C9H12FN/c10-9-4-8(5-9)7-2-1-3-11-6-7/h1-2,6,8-9,11H,3-5H2
InChIKeyWCYURDHMHDACCT-UHFFFAOYSA-N
MW153.20 g/mol
LogP1.78
Rot. Bonds1

About 5-(3-fluorocyclobutyl)-1,2-dihydropyridine

5-(3-fluorocyclobutyl)-1,2-dihydropyridine (PubChem CID 175717532) has the molecular formula C9H12FN and a molecular weight of 153.20 g/mol. Its IUPAC name is 5-(3-fluorocyclobutyl)-1,2-dihydropyridine.

Molecular Properties

Compound Name5-(3-fluorocyclobutyl)-1,2-dihydropyridine
PubChem CID175717532
Molecular FormulaC9H12FN
Molecular Weight153.20 g/mol
Exact Mass153.10
IUPAC Name5-(3-fluorocyclobutyl)-1,2-dihydropyridine
SMILESFC1CC(C2=CNCC=C2)C1
InChIInChI=1S/C9H12FN/c10-9-4-8(5-9)7-2-1-3-11-6-7/h1-2,6,8-9,11H,3-5H2
InChIKeyWCYURDHMHDACCT-UHFFFAOYSA-N
XLogP1.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorocyclobutyl)-1,2-dihydropyridine?
The IUPAC name of 5-(3-fluorocyclobutyl)-1,2-dihydropyridine (CID 175717532) is 5-(3-fluorocyclobutyl)-1,2-dihydropyridine.
What is the SMILES notation for 5-(3-fluorocyclobutyl)-1,2-dihydropyridine?
The canonical SMILES for 5-(3-fluorocyclobutyl)-1,2-dihydropyridine is FC1CC(C2=CNCC=C2)C1.
What is the InChIKey of 5-(3-fluorocyclobutyl)-1,2-dihydropyridine?
The InChIKey is WCYURDHMHDACCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FN/c10-9-4-8(5-9)7-2-1-3-11-6-7/h1-2,6,8-9,11H,3-5H2.
What are the key properties of 5-(3-fluorocyclobutyl)-1,2-dihydropyridine?
5-(3-fluorocyclobutyl)-1,2-dihydropyridine has a molecular weight of 153.20 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorocyclobutyl)-1,2-dihydropyridine is sourced from PubChem (CID 175717532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).