1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate;hydrochloride

C8H11ClF6N2O2 — CID 122529939

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate;hydrochloride
SMILESCl.O=C(OC(C(F)(F)F)C(F)(F)F)N1CCNCC1
InChIInChI=1S/C8H10F6N2O2.ClH/c9-7(10,11)5(8(12,13)14)18-6(17)16-3-1-15-2-4-16;/h5,15H,1-4H2;1H
InChIKeyWVHGQHDYVRSWIR-UHFFFAOYSA-N
MW316.63 g/mol
LogP1.94
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate;hydrochloride

1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate;hydrochloride (PubChem CID 122529939) has the molecular formula C8H11ClF6N2O2 and a molecular weight of 316.63 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate;hydrochloride
PubChem CID122529939
Molecular FormulaC8H11ClF6N2O2
Molecular Weight316.63 g/mol
Exact Mass316.04
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate;hydrochloride
SMILESCl.O=C(OC(C(F)(F)F)C(F)(F)F)N1CCNCC1
InChIInChI=1S/C8H10F6N2O2.ClH/c9-7(10,11)5(8(12,13)14)18-6(17)16-3-1-15-2-4-16;/h5,15H,1-4H2;1H
InChIKeyWVHGQHDYVRSWIR-UHFFFAOYSA-N
XLogP1.94
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.63
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate;hydrochloride?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate;hydrochloride (CID 122529939) is 1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate;hydrochloride.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate;hydrochloride?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate;hydrochloride is Cl.O=C(OC(C(F)(F)F)C(F)(F)F)N1CCNCC1.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate;hydrochloride?
The InChIKey is WVHGQHDYVRSWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N2O2.ClH/c9-7(10,11)5(8(12,13)14)18-6(17)16-3-1-15-2-4-16;/h5,15H,1-4H2;1H.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate;hydrochloride?
1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate;hydrochloride has a molecular weight of 316.63 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate;hydrochloride is sourced from PubChem (CID 122529939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).