1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-ethylpiperazine

C11H18F2N2 — CID 166844145

IUPAC1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-ethylpiperazine
SMILESC=C(C1CC1(F)F)N1CCN(CC)CC1
InChIInChI=1S/C11H18F2N2/c1-3-14-4-6-15(7-5-14)9(2)10-8-11(10,12)13/h10H,2-8H2,1H3
InChIKeyBOMVVWBVUWBLCH-UHFFFAOYSA-N
MW216.27 g/mol
LogP1.79
Rot. Bonds3

About 1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-ethylpiperazine

1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-ethylpiperazine (PubChem CID 166844145) has the molecular formula C11H18F2N2 and a molecular weight of 216.27 g/mol. Its IUPAC name is 1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-ethylpiperazine
PubChem CID166844145
Molecular FormulaC11H18F2N2
Molecular Weight216.27 g/mol
Exact Mass216.14
IUPAC Name1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-ethylpiperazine
SMILESC=C(C1CC1(F)F)N1CCN(CC)CC1
InChIInChI=1S/C11H18F2N2/c1-3-14-4-6-15(7-5-14)9(2)10-8-11(10,12)13/h10H,2-8H2,1H3
InChIKeyBOMVVWBVUWBLCH-UHFFFAOYSA-N
XLogP1.79
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-ethylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-ethylpiperazine?
The IUPAC name of 1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-ethylpiperazine (CID 166844145) is 1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-ethylpiperazine?
The canonical SMILES for 1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-ethylpiperazine is C=C(C1CC1(F)F)N1CCN(CC)CC1.
What is the InChIKey of 1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-ethylpiperazine?
The InChIKey is BOMVVWBVUWBLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2/c1-3-14-4-6-15(7-5-14)9(2)10-8-11(10,12)13/h10H,2-8H2,1H3.
What are the key properties of 1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-ethylpiperazine?
1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-ethylpiperazine has a molecular weight of 216.27 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,2-difluorocyclopropyl)ethenyl]-4-ethylpiperazine is sourced from PubChem (CID 166844145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).