2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine

C8H18FN3 — CID 80698853

IUPAC2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(CCF)CC1
InChIInChI=1S/C8H18FN3/c9-1-3-11-5-7-12(4-2-10)8-6-11/h1-8,10H2
InChIKeyQBTYQFPKRJBBKG-UHFFFAOYSA-N
MW175.25 g/mol
LogP-0.47
Rot. Bonds4

About 2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine

2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine (PubChem CID 80698853) has the molecular formula C8H18FN3 and a molecular weight of 175.25 g/mol. Its IUPAC name is 2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine
PubChem CID80698853
Molecular FormulaC8H18FN3
Molecular Weight175.25 g/mol
Exact Mass175.15
IUPAC Name2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine
SMILESNCCN1CCN(CCF)CC1
InChIInChI=1S/C8H18FN3/c9-1-3-11-5-7-12(4-2-10)8-6-11/h1-8,10H2
InChIKeyQBTYQFPKRJBBKG-UHFFFAOYSA-N
XLogP-0.47
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine (CID 80698853) is 2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine is NCCN1CCN(CCF)CC1.
What is the InChIKey of 2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine?
The InChIKey is QBTYQFPKRJBBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FN3/c9-1-3-11-5-7-12(4-2-10)8-6-11/h1-8,10H2.
What are the key properties of 2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine?
2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine has a molecular weight of 175.25 g/mol, XLogP of -0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoroethyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 80698853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).