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

C10H16F6N2O2 — CID 142307888

IUPACethane;1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate
SMILESCC.O=C(OC(C(F)(F)F)C(F)(F)F)N1CCNCC1
InChIInChI=1S/C8H10F6N2O2.C2H6/c9-7(10,11)5(8(12,13)14)18-6(17)16-3-1-15-2-4-16;1-2/h5,15H,1-4H2;1-2H3
InChIKeyMWVWKAFVNKIXFJ-UHFFFAOYSA-N
MW310.24 g/mol
LogP2.55
Rot. Bonds1

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

ethane;1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate (PubChem CID 142307888) has the molecular formula C10H16F6N2O2 and a molecular weight of 310.24 g/mol. Its IUPAC name is ethane;1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate.

Molecular Properties

Compound Nameethane;1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate
PubChem CID142307888
Molecular FormulaC10H16F6N2O2
Molecular Weight310.24 g/mol
Exact Mass310.11
IUPAC Nameethane;1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate
SMILESCC.O=C(OC(C(F)(F)F)C(F)(F)F)N1CCNCC1
InChIInChI=1S/C8H10F6N2O2.C2H6/c9-7(10,11)5(8(12,13)14)18-6(17)16-3-1-15-2-4-16;1-2/h5,15H,1-4H2;1-2H3
InChIKeyMWVWKAFVNKIXFJ-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Piperazinecarboxylic acid, 4-(2-(isopropylamino)ethyl)-, isopropyl ester, hydrochloride
CID 212422
1-Piperazinecarboxylic acid, 4-(2-(butylamino)ethyl)-, isopropyl ester, hydrochloride
CID 212426
1-Tert-butyl 4-(1,1,1,3,3,3-hexafluoropropan-2-yl) piperazine-1,4-dicarboxylate
CID 71656523
Propyl piperazine-1-carboxylate
CID 22393735
2,2,2-Trifluoroethyl piperazine-1-carboxylate
CID 65173246
Propyl piperazine-1-carboxylate;2,2,2-trifluoroacetic acid
CID 66855426
Piperazine-1-carboxylic acid 3,3,3-trifluoro-propyl ester
CID 68598860
1-Fluorobutyl piperazine-1-carboxylate
CID 68722112
Ethyl 2-(trifluoromethyl)piperazine-1-carboxylate
CID 68748552
1-Fluorobutyl 4-(2-aminoethyl)piperazine-1-carboxylate
CID 69843750
1,1,1,3,3,3-Hexafluoropropan-2-yl piperazine-1-carboxylate
CID 89682816
1,1,1-Trifluoropropan-2-yl piperazine-1-carboxylate
CID 118256126

Frequently Asked Questions

What is the IUPAC name of ethane;1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate?
The IUPAC name of ethane;1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate (CID 142307888) is ethane;1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate.
What is the SMILES notation for ethane;1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate?
The canonical SMILES for ethane;1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate is CC.O=C(OC(C(F)(F)F)C(F)(F)F)N1CCNCC1.
What is the InChIKey of ethane;1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate?
The InChIKey is MWVWKAFVNKIXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N2O2.C2H6/c9-7(10,11)5(8(12,13)14)18-6(17)16-3-1-15-2-4-16;1-2/h5,15H,1-4H2;1-2H3.
What are the key properties of ethane;1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate?
ethane;1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate has a molecular weight of 310.24 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1,1,1,3,3,3-hexafluoropropan-2-yl piperazine-1-carboxylate is sourced from PubChem (CID 142307888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).