2-(difluoromethyl)-1-prop-2-enylpiperazine

C8H14F2N2 — CID 130643466

IUPAC2-(difluoromethyl)-1-prop-2-enylpiperazine
SMILESC=CCN1CCNCC1C(F)F
InChIInChI=1S/C8H14F2N2/c1-2-4-12-5-3-11-6-7(12)8(9)10/h2,7-8,11H,1,3-6H2
InChIKeyFTGWHAQXONYTIZ-UHFFFAOYSA-N
MW176.21 g/mol
LogP0.71
Rot. Bonds3

About 2-(difluoromethyl)-1-prop-2-enylpiperazine

2-(difluoromethyl)-1-prop-2-enylpiperazine (PubChem CID 130643466) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-prop-2-enylpiperazine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-prop-2-enylpiperazine
PubChem CID130643466
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name2-(difluoromethyl)-1-prop-2-enylpiperazine
SMILESC=CCN1CCNCC1C(F)F
InChIInChI=1S/C8H14F2N2/c1-2-4-12-5-3-11-6-7(12)8(9)10/h2,7-8,11H,1,3-6H2
InChIKeyFTGWHAQXONYTIZ-UHFFFAOYSA-N
XLogP0.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-1-prop-2-enylpiperazine?
The IUPAC name of 2-(difluoromethyl)-1-prop-2-enylpiperazine (CID 130643466) is 2-(difluoromethyl)-1-prop-2-enylpiperazine.
What is the SMILES notation for 2-(difluoromethyl)-1-prop-2-enylpiperazine?
The canonical SMILES for 2-(difluoromethyl)-1-prop-2-enylpiperazine is C=CCN1CCNCC1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-1-prop-2-enylpiperazine?
The InChIKey is FTGWHAQXONYTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2N2/c1-2-4-12-5-3-11-6-7(12)8(9)10/h2,7-8,11H,1,3-6H2.
What are the key properties of 2-(difluoromethyl)-1-prop-2-enylpiperazine?
2-(difluoromethyl)-1-prop-2-enylpiperazine has a molecular weight of 176.21 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-prop-2-enylpiperazine is sourced from PubChem (CID 130643466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).