N-(2-fluoroethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

C9H17FN2 — CID 80693738

IUPACN-(2-fluoroethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESFCCNC1CCN2CCCC12
InChIInChI=1S/C9H17FN2/c10-4-5-11-8-3-7-12-6-1-2-9(8)12/h8-9,11H,1-7H2
InChIKeyUIWTYCDNCZYXIU-UHFFFAOYSA-N
MW172.25 g/mol
LogP0.78
Rot. Bonds3

About N-(2-fluoroethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine

N-(2-fluoroethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (PubChem CID 80693738) has the molecular formula C9H17FN2 and a molecular weight of 172.25 g/mol. Its IUPAC name is N-(2-fluoroethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.

Molecular Properties

Compound NameN-(2-fluoroethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
PubChem CID80693738
Molecular FormulaC9H17FN2
Molecular Weight172.25 g/mol
Exact Mass172.14
IUPAC NameN-(2-fluoroethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
SMILESFCCNC1CCN2CCCC12
InChIInChI=1S/C9H17FN2/c10-4-5-11-8-3-7-12-6-1-2-9(8)12/h8-9,11H,1-7H2
InChIKeyUIWTYCDNCZYXIU-UHFFFAOYSA-N
XLogP0.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The IUPAC name of N-(2-fluoroethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine (CID 80693738) is N-(2-fluoroethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine.
What is the SMILES notation for N-(2-fluoroethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The canonical SMILES for N-(2-fluoroethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is FCCNC1CCN2CCCC12.
What is the InChIKey of N-(2-fluoroethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
The InChIKey is UIWTYCDNCZYXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17FN2/c10-4-5-11-8-3-7-12-6-1-2-9(8)12/h8-9,11H,1-7H2.
What are the key properties of N-(2-fluoroethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine?
N-(2-fluoroethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine has a molecular weight of 172.25 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine is sourced from PubChem (CID 80693738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).