ethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite

C14H21FN2O2 — CID 153379478

IUPACethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite
SMILESCC.CN1CCN(c2ccc(COF)cc2)C(=O)C1
InChIInChI=1S/C12H15FN2O2.C2H6/c1-14-6-7-15(12(16)8-14)11-4-2-10(3-5-11)9-17-13;1-2/h2-5H,6-9H2,1H3;1-2H3
InChIKeyHIVVHMWEEKHUIZ-UHFFFAOYSA-N
MW268.33 g/mol
LogP2.39
Rot. Bonds3

About ethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite

ethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite (PubChem CID 153379478) has the molecular formula C14H21FN2O2 and a molecular weight of 268.33 g/mol. Its IUPAC name is ethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite.

Molecular Properties

Compound Nameethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite
PubChem CID153379478
Molecular FormulaC14H21FN2O2
Molecular Weight268.33 g/mol
Exact Mass268.16
IUPAC Nameethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite
SMILESCC.CN1CCN(c2ccc(COF)cc2)C(=O)C1
InChIInChI=1S/C12H15FN2O2.C2H6/c1-14-6-7-15(12(16)8-14)11-4-2-10(3-5-11)9-17-13;1-2/h2-5H,6-9H2,1H3;1-2H3
InChIKeyHIVVHMWEEKHUIZ-UHFFFAOYSA-N
XLogP2.39
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.33
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite?
The IUPAC name of ethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite (CID 153379478) is ethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite.
What is the SMILES notation for ethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite?
The canonical SMILES for ethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite is CC.CN1CCN(c2ccc(COF)cc2)C(=O)C1.
What is the InChIKey of ethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite?
The InChIKey is HIVVHMWEEKHUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O2.C2H6/c1-14-6-7-15(12(16)8-14)11-4-2-10(3-5-11)9-17-13;1-2/h2-5H,6-9H2,1H3;1-2H3.
What are the key properties of ethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite?
ethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite has a molecular weight of 268.33 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[4-(4-methyl-2-oxopiperazin-1-yl)phenyl]methyl hypofluorite is sourced from PubChem (CID 153379478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).