3-methylidene-1-(3,3,3-trifluoropropyl)piperazine

C8H13F3N2 — CID 162569377

IUPAC3-methylidene-1-(3,3,3-trifluoropropyl)piperazine
SMILESC=C1CN(CCC(F)(F)F)CCN1
InChIInChI=1S/C8H13F3N2/c1-7-6-13(5-3-12-7)4-2-8(9,10)11/h12H,1-6H2
InChIKeyBXICBJSFHNIZDF-UHFFFAOYSA-N
MW194.20 g/mol
LogP1.36
Rot. Bonds2

About 3-methylidene-1-(3,3,3-trifluoropropyl)piperazine

3-methylidene-1-(3,3,3-trifluoropropyl)piperazine (PubChem CID 162569377) has the molecular formula C8H13F3N2 and a molecular weight of 194.20 g/mol. Its IUPAC name is 3-methylidene-1-(3,3,3-trifluoropropyl)piperazine.

Molecular Properties

Compound Name3-methylidene-1-(3,3,3-trifluoropropyl)piperazine
PubChem CID162569377
Molecular FormulaC8H13F3N2
Molecular Weight194.20 g/mol
Exact Mass194.10
IUPAC Name3-methylidene-1-(3,3,3-trifluoropropyl)piperazine
SMILESC=C1CN(CCC(F)(F)F)CCN1
InChIInChI=1S/C8H13F3N2/c1-7-6-13(5-3-12-7)4-2-8(9,10)11/h12H,1-6H2
InChIKeyBXICBJSFHNIZDF-UHFFFAOYSA-N
XLogP1.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-1-(3,3,3-trifluoropropyl)piperazine?
The IUPAC name of 3-methylidene-1-(3,3,3-trifluoropropyl)piperazine (CID 162569377) is 3-methylidene-1-(3,3,3-trifluoropropyl)piperazine.
What is the SMILES notation for 3-methylidene-1-(3,3,3-trifluoropropyl)piperazine?
The canonical SMILES for 3-methylidene-1-(3,3,3-trifluoropropyl)piperazine is C=C1CN(CCC(F)(F)F)CCN1.
What is the InChIKey of 3-methylidene-1-(3,3,3-trifluoropropyl)piperazine?
The InChIKey is BXICBJSFHNIZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2/c1-7-6-13(5-3-12-7)4-2-8(9,10)11/h12H,1-6H2.
What are the key properties of 3-methylidene-1-(3,3,3-trifluoropropyl)piperazine?
3-methylidene-1-(3,3,3-trifluoropropyl)piperazine has a molecular weight of 194.20 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-1-(3,3,3-trifluoropropyl)piperazine is sourced from PubChem (CID 162569377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).