2,3,3,3-tetrafluoro-2-[fluoro-[2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)piperazin-1-yl]methyl]propan-1-ol

C10H4F18N2O — CID 129188958

IUPAC2,3,3,3-tetrafluoro-2-[fluoro-[2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)piperazin-1-yl]methyl]propan-1-ol
SMILESOCC(F)(C(F)N1C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C10H4F18N2O/c11-2(3(12,1-31)4(13,14)15)29-7(21,22)9(25,26)30(6(19,20)5(16,17)18)10(27,28)8(29,23)24/h2,31H,1H2
InChIKeyZSGHWFUULVPJNF-UHFFFAOYSA-N
MW510.12 g/mol
LogP4.69
Rot. Bonds4

About 2,3,3,3-tetrafluoro-2-[fluoro-[2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)piperazin-1-yl]methyl]propan-1-ol

2,3,3,3-tetrafluoro-2-[fluoro-[2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)piperazin-1-yl]methyl]propan-1-ol (PubChem CID 129188958) has the molecular formula C10H4F18N2O and a molecular weight of 510.12 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-[fluoro-[2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)piperazin-1-yl]methyl]propan-1-ol.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-[fluoro-[2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)piperazin-1-yl]methyl]propan-1-ol
PubChem CID129188958
Molecular FormulaC10H4F18N2O
Molecular Weight510.12 g/mol
Exact Mass510.00
IUPAC Name2,3,3,3-tetrafluoro-2-[fluoro-[2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)piperazin-1-yl]methyl]propan-1-ol
SMILESOCC(F)(C(F)N1C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C1(F)F)C(F)(F)F
InChIInChI=1S/C10H4F18N2O/c11-2(3(12,1-31)4(13,14)15)29-7(21,22)9(25,26)30(6(19,20)5(16,17)18)10(27,28)8(29,23)24/h2,31H,1H2
InChIKeyZSGHWFUULVPJNF-UHFFFAOYSA-N
XLogP4.69
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.12
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-[fluoro-[2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)piperazin-1-yl]methyl]propan-1-ol?
The IUPAC name of 2,3,3,3-tetrafluoro-2-[fluoro-[2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)piperazin-1-yl]methyl]propan-1-ol (CID 129188958) is 2,3,3,3-tetrafluoro-2-[fluoro-[2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)piperazin-1-yl]methyl]propan-1-ol.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-[fluoro-[2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)piperazin-1-yl]methyl]propan-1-ol?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-[fluoro-[2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)piperazin-1-yl]methyl]propan-1-ol is OCC(F)(C(F)N1C(F)(F)C(F)(F)N(C(F)(F)C(F)(F)F)C(F)(F)C1(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-[fluoro-[2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)piperazin-1-yl]methyl]propan-1-ol?
The InChIKey is ZSGHWFUULVPJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F18N2O/c11-2(3(12,1-31)4(13,14)15)29-7(21,22)9(25,26)30(6(19,20)5(16,17)18)10(27,28)8(29,23)24/h2,31H,1H2.
What are the key properties of 2,3,3,3-tetrafluoro-2-[fluoro-[2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)piperazin-1-yl]methyl]propan-1-ol?
2,3,3,3-tetrafluoro-2-[fluoro-[2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)piperazin-1-yl]methyl]propan-1-ol has a molecular weight of 510.12 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-[fluoro-[2,2,3,3,5,5,6,6-octafluoro-4-(1,1,2,2,2-pentafluoroethyl)piperazin-1-yl]methyl]propan-1-ol is sourced from PubChem (CID 129188958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).