2-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptane

C7H13FN2 — CID 130543722

IUPAC2-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESFCCN1CC2CC1CN2
InChIInChI=1S/C7H13FN2/c8-1-2-10-5-6-3-7(10)4-9-6/h6-7,9H,1-5H2
InChIKeyWREJIDFBDNBDCT-UHFFFAOYSA-N
MW144.19 g/mol
LogP0.00
Rot. Bonds2

About 2-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptane

2-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 130543722) has the molecular formula C7H13FN2 and a molecular weight of 144.19 g/mol. Its IUPAC name is 2-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID130543722
Molecular FormulaC7H13FN2
Molecular Weight144.19 g/mol
Exact Mass144.11
IUPAC Name2-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESFCCN1CC2CC1CN2
InChIInChI=1S/C7H13FN2/c8-1-2-10-5-6-3-7(10)4-9-6/h6-7,9H,1-5H2
InChIKeyWREJIDFBDNBDCT-UHFFFAOYSA-N
XLogP0.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.19
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptane (CID 130543722) is 2-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptane is FCCN1CC2CC1CN2.
What is the InChIKey of 2-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is WREJIDFBDNBDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FN2/c8-1-2-10-5-6-3-7(10)4-9-6/h6-7,9H,1-5H2.
What are the key properties of 2-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptane?
2-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 144.19 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroethyl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 130543722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).