(1,2,4-trimethylpiperazin-2-yl)methyl hypofluorite

C8H17FN2O — CID 177009752

IUPAC(1,2,4-trimethylpiperazin-2-yl)methyl hypofluorite
SMILESCN1CCN(C)C(C)(COF)C1
InChIInChI=1S/C8H17FN2O/c1-8(7-12-9)6-10(2)4-5-11(8)3/h4-7H2,1-3H3
InChIKeyCVRYHYQLMRTZRS-UHFFFAOYSA-N
MW176.23 g/mol
LogP0.52
Rot. Bonds2

About (1,2,4-trimethylpiperazin-2-yl)methyl hypofluorite

(1,2,4-trimethylpiperazin-2-yl)methyl hypofluorite (PubChem CID 177009752) has the molecular formula C8H17FN2O and a molecular weight of 176.23 g/mol. Its IUPAC name is (1,2,4-trimethylpiperazin-2-yl)methyl hypofluorite.

Molecular Properties

Compound Name(1,2,4-trimethylpiperazin-2-yl)methyl hypofluorite
PubChem CID177009752
Molecular FormulaC8H17FN2O
Molecular Weight176.23 g/mol
Exact Mass176.13
IUPAC Name(1,2,4-trimethylpiperazin-2-yl)methyl hypofluorite
SMILESCN1CCN(C)C(C)(COF)C1
InChIInChI=1S/C8H17FN2O/c1-8(7-12-9)6-10(2)4-5-11(8)3/h4-7H2,1-3H3
InChIKeyCVRYHYQLMRTZRS-UHFFFAOYSA-N
XLogP0.52
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.23
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,2,4-trimethylpiperazin-2-yl)methyl hypofluorite?
The IUPAC name of (1,2,4-trimethylpiperazin-2-yl)methyl hypofluorite (CID 177009752) is (1,2,4-trimethylpiperazin-2-yl)methyl hypofluorite.
What is the SMILES notation for (1,2,4-trimethylpiperazin-2-yl)methyl hypofluorite?
The canonical SMILES for (1,2,4-trimethylpiperazin-2-yl)methyl hypofluorite is CN1CCN(C)C(C)(COF)C1.
What is the InChIKey of (1,2,4-trimethylpiperazin-2-yl)methyl hypofluorite?
The InChIKey is CVRYHYQLMRTZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17FN2O/c1-8(7-12-9)6-10(2)4-5-11(8)3/h4-7H2,1-3H3.
What are the key properties of (1,2,4-trimethylpiperazin-2-yl)methyl hypofluorite?
(1,2,4-trimethylpiperazin-2-yl)methyl hypofluorite has a molecular weight of 176.23 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,4-trimethylpiperazin-2-yl)methyl hypofluorite is sourced from PubChem (CID 177009752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).