1-fluoro-4-(trifluoromethyl)piperazine

C5H8F4N2 — CID 91275895

IUPAC1-fluoro-4-(trifluoromethyl)piperazine
SMILESFN1CCN(C(F)(F)F)CC1
InChIInChI=1S/C5H8F4N2/c6-5(7,8)10-1-3-11(9)4-2-10/h1-4H2
InChIKeyTWDCLXKHRAUSEM-UHFFFAOYSA-N
MW172.12 g/mol
LogP1.01
Rot. Bonds

About 1-fluoro-4-(trifluoromethyl)piperazine

1-fluoro-4-(trifluoromethyl)piperazine (PubChem CID 91275895) has the molecular formula C5H8F4N2 and a molecular weight of 172.12 g/mol. Its IUPAC name is 1-fluoro-4-(trifluoromethyl)piperazine.

Molecular Properties

Compound Name1-fluoro-4-(trifluoromethyl)piperazine
PubChem CID91275895
Molecular FormulaC5H8F4N2
Molecular Weight172.12 g/mol
Exact Mass172.06
IUPAC Name1-fluoro-4-(trifluoromethyl)piperazine
SMILESFN1CCN(C(F)(F)F)CC1
InChIInChI=1S/C5H8F4N2/c6-5(7,8)10-1-3-11(9)4-2-10/h1-4H2
InChIKeyTWDCLXKHRAUSEM-UHFFFAOYSA-N
XLogP1.01
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.12
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-(trifluoromethyl)piperazine?
The IUPAC name of 1-fluoro-4-(trifluoromethyl)piperazine (CID 91275895) is 1-fluoro-4-(trifluoromethyl)piperazine.
What is the SMILES notation for 1-fluoro-4-(trifluoromethyl)piperazine?
The canonical SMILES for 1-fluoro-4-(trifluoromethyl)piperazine is FN1CCN(C(F)(F)F)CC1.
What is the InChIKey of 1-fluoro-4-(trifluoromethyl)piperazine?
The InChIKey is TWDCLXKHRAUSEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4N2/c6-5(7,8)10-1-3-11(9)4-2-10/h1-4H2.
What are the key properties of 1-fluoro-4-(trifluoromethyl)piperazine?
1-fluoro-4-(trifluoromethyl)piperazine has a molecular weight of 172.12 g/mol, XLogP of 1.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-(trifluoromethyl)piperazine is sourced from PubChem (CID 91275895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).