1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclobutan-1-ol

C11H18FNO — CID 126795405

IUPAC1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclobutan-1-ol
SMILESOC1(CCN2CCC=C(F)C2)CCC1
InChIInChI=1S/C11H18FNO/c12-10-3-1-7-13(9-10)8-6-11(14)4-2-5-11/h3,14H,1-2,4-9H2
InChIKeyFSDUGKJFMGCPJD-UHFFFAOYSA-N
MW199.27 g/mol
LogP1.85
Rot. Bonds3

About 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclobutan-1-ol

1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclobutan-1-ol (PubChem CID 126795405) has the molecular formula C11H18FNO and a molecular weight of 199.27 g/mol. Its IUPAC name is 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclobutan-1-ol
PubChem CID126795405
Molecular FormulaC11H18FNO
Molecular Weight199.27 g/mol
Exact Mass199.14
IUPAC Name1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclobutan-1-ol
SMILESOC1(CCN2CCC=C(F)C2)CCC1
InChIInChI=1S/C11H18FNO/c12-10-3-1-7-13(9-10)8-6-11(14)4-2-5-11/h3,14H,1-2,4-9H2
InChIKeyFSDUGKJFMGCPJD-UHFFFAOYSA-N
XLogP1.85
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclobutan-1-ol?
The IUPAC name of 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclobutan-1-ol (CID 126795405) is 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclobutan-1-ol?
The canonical SMILES for 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclobutan-1-ol is OC1(CCN2CCC=C(F)C2)CCC1.
What is the InChIKey of 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclobutan-1-ol?
The InChIKey is FSDUGKJFMGCPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO/c12-10-3-1-7-13(9-10)8-6-11(14)4-2-5-11/h3,14H,1-2,4-9H2.
What are the key properties of 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclobutan-1-ol?
1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclobutan-1-ol has a molecular weight of 199.27 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-fluoro-3,6-dihydro-2H-pyridin-1-yl)ethyl]cyclobutan-1-ol is sourced from PubChem (CID 126795405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).