N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine

C11H20F3N3 — CID 55085259

IUPACN-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3/c1-2-3-15-4-5-16-6-8-17(9-7-16)10-11(12,13)14/h2,15H,1,3-10H2
InChIKeyCWAWNSWPGYFBAU-UHFFFAOYSA-N
MW251.30 g/mol
LogP0.94
Rot. Bonds6

About N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine

N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine (PubChem CID 55085259) has the molecular formula C11H20F3N3 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine.

Molecular Properties

Compound NameN-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine
PubChem CID55085259
Molecular FormulaC11H20F3N3
Molecular Weight251.30 g/mol
Exact Mass251.16
IUPAC NameN-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine
SMILESC=CCNCCN1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C11H20F3N3/c1-2-3-15-4-5-16-6-8-17(9-7-16)10-11(12,13)14/h2,15H,1,3-10H2
InChIKeyCWAWNSWPGYFBAU-UHFFFAOYSA-N
XLogP0.94
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine?
The IUPAC name of N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine (CID 55085259) is N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine.
What is the SMILES notation for N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine?
The canonical SMILES for N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine is C=CCNCCN1CCN(CC(F)(F)F)CC1.
What is the InChIKey of N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine?
The InChIKey is CWAWNSWPGYFBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N3/c1-2-3-15-4-5-16-6-8-17(9-7-16)10-11(12,13)14/h2,15H,1,3-10H2.
What are the key properties of N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine?
N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine has a molecular weight of 251.30 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine is sourced from PubChem (CID 55085259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).