1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine

C13H16F4N2 — CID 115051073

IUPAC1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine
SMILESCC(F)c1ccc(N2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F4N2/c1-9(14)10-2-3-12(11(8-10)13(15,16)17)19-6-4-18-5-7-19/h2-3,8-9,18H,4-7H2,1H3
InChIKeyGWURRJGPRVRFLY-UHFFFAOYSA-N
MW276.28 g/mol
LogP3.15
Rot. Bonds2

About 1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine

1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine (PubChem CID 115051073) has the molecular formula C13H16F4N2 and a molecular weight of 276.28 g/mol. Its IUPAC name is 1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine
PubChem CID115051073
Molecular FormulaC13H16F4N2
Molecular Weight276.28 g/mol
Exact Mass276.12
IUPAC Name1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine
SMILESCC(F)c1ccc(N2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C13H16F4N2/c1-9(14)10-2-3-12(11(8-10)13(15,16)17)19-6-4-18-5-7-19/h2-3,8-9,18H,4-7H2,1H3
InChIKeyGWURRJGPRVRFLY-UHFFFAOYSA-N
XLogP3.15
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.28
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine (CID 115051073) is 1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine is CC(F)c1ccc(N2CCNCC2)c(C(F)(F)F)c1.
What is the InChIKey of 1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine?
The InChIKey is GWURRJGPRVRFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F4N2/c1-9(14)10-2-3-12(11(8-10)13(15,16)17)19-6-4-18-5-7-19/h2-3,8-9,18H,4-7H2,1H3.
What are the key properties of 1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine?
1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine has a molecular weight of 276.28 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-fluoroethyl)-2-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 115051073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).