1-(3,3-difluorobut-1-en-2-yl)-4-propan-2-ylpiperazine

C11H20F2N2 — CID 170569368

IUPAC1-(3,3-difluorobut-1-en-2-yl)-4-propan-2-ylpiperazine
SMILESC=C(N1CCN(C(C)C)CC1)C(C)(F)F
InChIInChI=1S/C11H20F2N2/c1-9(2)14-5-7-15(8-6-14)10(3)11(4,12)13/h9H,3,5-8H2,1-2,4H3
InChIKeyZLQYDXLESIDPAY-UHFFFAOYSA-N
MW218.29 g/mol
LogP2.18
Rot. Bonds3

About 1-(3,3-difluorobut-1-en-2-yl)-4-propan-2-ylpiperazine

1-(3,3-difluorobut-1-en-2-yl)-4-propan-2-ylpiperazine (PubChem CID 170569368) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is 1-(3,3-difluorobut-1-en-2-yl)-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(3,3-difluorobut-1-en-2-yl)-4-propan-2-ylpiperazine
PubChem CID170569368
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name1-(3,3-difluorobut-1-en-2-yl)-4-propan-2-ylpiperazine
SMILESC=C(N1CCN(C(C)C)CC1)C(C)(F)F
InChIInChI=1S/C11H20F2N2/c1-9(2)14-5-7-15(8-6-14)10(3)11(4,12)13/h9H,3,5-8H2,1-2,4H3
InChIKeyZLQYDXLESIDPAY-UHFFFAOYSA-N
XLogP2.18
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorobut-1-en-2-yl)-4-propan-2-ylpiperazine?
The IUPAC name of 1-(3,3-difluorobut-1-en-2-yl)-4-propan-2-ylpiperazine (CID 170569368) is 1-(3,3-difluorobut-1-en-2-yl)-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-(3,3-difluorobut-1-en-2-yl)-4-propan-2-ylpiperazine?
The canonical SMILES for 1-(3,3-difluorobut-1-en-2-yl)-4-propan-2-ylpiperazine is C=C(N1CCN(C(C)C)CC1)C(C)(F)F.
What is the InChIKey of 1-(3,3-difluorobut-1-en-2-yl)-4-propan-2-ylpiperazine?
The InChIKey is ZLQYDXLESIDPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2/c1-9(2)14-5-7-15(8-6-14)10(3)11(4,12)13/h9H,3,5-8H2,1-2,4H3.
What are the key properties of 1-(3,3-difluorobut-1-en-2-yl)-4-propan-2-ylpiperazine?
1-(3,3-difluorobut-1-en-2-yl)-4-propan-2-ylpiperazine has a molecular weight of 218.29 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorobut-1-en-2-yl)-4-propan-2-ylpiperazine is sourced from PubChem (CID 170569368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).