3-(difluoromethyl)-1-methylpiperazine

C6H12F2N2 — CID 58803022

IUPAC3-(difluoromethyl)-1-methylpiperazine
SMILESCN1CCNC(C(F)F)C1
InChIInChI=1S/C6H12F2N2/c1-10-3-2-9-5(4-10)6(7)8/h5-6,9H,2-4H2,1H3
InChIKeyLTHINKGRIPSLJY-UHFFFAOYSA-N
MW150.17 g/mol
LogP0.16
Rot. Bonds1

About 3-(difluoromethyl)-1-methylpiperazine

3-(difluoromethyl)-1-methylpiperazine (PubChem CID 58803022) has the molecular formula C6H12F2N2 and a molecular weight of 150.17 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-methylpiperazine.

Molecular Properties

Compound Name3-(difluoromethyl)-1-methylpiperazine
PubChem CID58803022
Molecular FormulaC6H12F2N2
Molecular Weight150.17 g/mol
Exact Mass150.10
IUPAC Name3-(difluoromethyl)-1-methylpiperazine
SMILESCN1CCNC(C(F)F)C1
InChIInChI=1S/C6H12F2N2/c1-10-3-2-9-5(4-10)6(7)8/h5-6,9H,2-4H2,1H3
InChIKeyLTHINKGRIPSLJY-UHFFFAOYSA-N
XLogP0.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-methylpiperazine?
The IUPAC name of 3-(difluoromethyl)-1-methylpiperazine (CID 58803022) is 3-(difluoromethyl)-1-methylpiperazine.
What is the SMILES notation for 3-(difluoromethyl)-1-methylpiperazine?
The canonical SMILES for 3-(difluoromethyl)-1-methylpiperazine is CN1CCNC(C(F)F)C1.
What is the InChIKey of 3-(difluoromethyl)-1-methylpiperazine?
The InChIKey is LTHINKGRIPSLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F2N2/c1-10-3-2-9-5(4-10)6(7)8/h5-6,9H,2-4H2,1H3.
What are the key properties of 3-(difluoromethyl)-1-methylpiperazine?
3-(difluoromethyl)-1-methylpiperazine has a molecular weight of 150.17 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-methylpiperazine is sourced from PubChem (CID 58803022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).