2-(difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine

C10H18F2N2 — CID 166698660

IUPAC2-(difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CC)C(C(F)F)C1
InChIInChI=1S/C10H18F2N2/c1-3-5-13-6-7-14(4-2)9(8-13)10(11)12/h3,9-10H,1,4-8H2,2H3
InChIKeyUSBLWXAIGDUKLZ-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.44
Rot. Bonds4

About 2-(difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine

2-(difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine (PubChem CID 166698660) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is 2-(difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine.

Molecular Properties

Compound Name2-(difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine
PubChem CID166698660
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC Name2-(difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine
SMILESC=CCN1CCN(CC)C(C(F)F)C1
InChIInChI=1S/C10H18F2N2/c1-3-5-13-6-7-14(4-2)9(8-13)10(11)12/h3,9-10H,1,4-8H2,2H3
InChIKeyUSBLWXAIGDUKLZ-UHFFFAOYSA-N
XLogP1.44
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.44
H-Bond Donors ≤ 50
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-ethyl-4-prop-2-enylpiperazine?
The IUPAC name of 2-(difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine (CID 166698660) is 2-(difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine.
What is the SMILES notation for 2-(difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine?
The canonical SMILES for 2-(difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine is C=CCN1CCN(CC)C(C(F)F)C1.
What is the InChIKey of 2-(difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine?
The InChIKey is USBLWXAIGDUKLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-3-5-13-6-7-14(4-2)9(8-13)10(11)12/h3,9-10H,1,4-8H2,2H3.
What are the key properties of 2-(difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine?
2-(difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine has a molecular weight of 204.26 g/mol, XLogP of 1.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-1-ethyl-4-prop-2-enylpiperazine is sourced from PubChem (CID 166698660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).