1,1,1,3,3,3-hexafluoropropan-2-yl 2-(4-methylpiperazin-1-yl)acetate

C10H14F6N2O2 — CID 158753694

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 2-(4-methylpiperazin-1-yl)acetate
SMILESCN1CCN(CC(=O)OC(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C10H14F6N2O2/c1-17-2-4-18(5-3-17)6-7(19)20-8(9(11,12)13)10(14,15)16/h8H,2-6H2,1H3
InChIKeyINUIOAKTQZVEJW-UHFFFAOYSA-N
MW308.22 g/mol
LogP1.27
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoropropan-2-yl 2-(4-methylpiperazin-1-yl)acetate

1,1,1,3,3,3-hexafluoropropan-2-yl 2-(4-methylpiperazin-1-yl)acetate (PubChem CID 158753694) has the molecular formula C10H14F6N2O2 and a molecular weight of 308.22 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 2-(4-methylpiperazin-1-yl)acetate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 2-(4-methylpiperazin-1-yl)acetate
PubChem CID158753694
Molecular FormulaC10H14F6N2O2
Molecular Weight308.22 g/mol
Exact Mass308.10
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 2-(4-methylpiperazin-1-yl)acetate
SMILESCN1CCN(CC(=O)OC(C(F)(F)F)C(F)(F)F)CC1
InChIInChI=1S/C10H14F6N2O2/c1-17-2-4-18(5-3-17)6-7(19)20-8(9(11,12)13)10(14,15)16/h8H,2-6H2,1H3
InChIKeyINUIOAKTQZVEJW-UHFFFAOYSA-N
XLogP1.27
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-(4-methylpiperazin-1-yl)acetate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-(4-methylpiperazin-1-yl)acetate (CID 158753694) is 1,1,1,3,3,3-hexafluoropropan-2-yl 2-(4-methylpiperazin-1-yl)acetate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-(4-methylpiperazin-1-yl)acetate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-(4-methylpiperazin-1-yl)acetate is CN1CCN(CC(=O)OC(C(F)(F)F)C(F)(F)F)CC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-(4-methylpiperazin-1-yl)acetate?
The InChIKey is INUIOAKTQZVEJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F6N2O2/c1-17-2-4-18(5-3-17)6-7(19)20-8(9(11,12)13)10(14,15)16/h8H,2-6H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-(4-methylpiperazin-1-yl)acetate?
1,1,1,3,3,3-hexafluoropropan-2-yl 2-(4-methylpiperazin-1-yl)acetate has a molecular weight of 308.22 g/mol, XLogP of 1.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-(4-methylpiperazin-1-yl)acetate is sourced from PubChem (CID 158753694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).