2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane

C9H16FN — CID 130686554

IUPAC2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane
SMILESFCCCN1CC2CCC1C2
InChIInChI=1S/C9H16FN/c10-4-1-5-11-7-8-2-3-9(11)6-8/h8-9H,1-7H2
InChIKeyXAGQPCMGLFXLTN-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.83
Rot. Bonds3

About 2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane

2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane (PubChem CID 130686554) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane
PubChem CID130686554
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane
SMILESFCCCN1CC2CCC1C2
InChIInChI=1S/C9H16FN/c10-4-1-5-11-7-8-2-3-9(11)6-8/h8-9H,1-7H2
InChIKeyXAGQPCMGLFXLTN-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane?
The IUPAC name of 2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane (CID 130686554) is 2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane is FCCCN1CC2CCC1C2.
What is the InChIKey of 2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane?
The InChIKey is XAGQPCMGLFXLTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c10-4-1-5-11-7-8-2-3-9(11)6-8/h8-9H,1-7H2.
What are the key properties of 2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane?
2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane has a molecular weight of 157.23 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 130686554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).