1,1,2,2,3-pentafluoro-3-[1,2,2,3,3-pentafluoro-3-hydroxy-1-(2,3,3-trifluorooxiran-2-yl)propoxy]-3-(2,3,3-trifluorooxiran-2-yl)propan-1-ol

C10H2F16O5 — CID 139796501

IUPAC1,1,2,2,3-pentafluoro-3-[1,2,2,3,3-pentafluoro-3-hydroxy-1-(2,3,3-trifluorooxiran-2-yl)propoxy]-3-(2,3,3-trifluorooxiran-2-yl)propan-1-ol
SMILESOC(F)(F)C(F)(F)C(F)(OC(F)(C(F)(F)C(O)(F)F)C1(F)OC1(F)F)C1(F)OC1(F)F
InChIInChI=1S/C10H2F16O5/c11-1(12,7(19,20)27)3(15,5(17)9(23,24)30-5)29-4(16,2(13,14)8(21,22)28)6(18)10(25,26)31-6/h27-28H
InChIKeyVAMDZKFVTYQLBB-UHFFFAOYSA-N
MW506.09 g/mol
LogP3.35
Rot. Bonds8

About 1,1,2,2,3-pentafluoro-3-[1,2,2,3,3-pentafluoro-3-hydroxy-1-(2,3,3-trifluorooxiran-2-yl)propoxy]-3-(2,3,3-trifluorooxiran-2-yl)propan-1-ol

1,1,2,2,3-pentafluoro-3-[1,2,2,3,3-pentafluoro-3-hydroxy-1-(2,3,3-trifluorooxiran-2-yl)propoxy]-3-(2,3,3-trifluorooxiran-2-yl)propan-1-ol (PubChem CID 139796501) has the molecular formula C10H2F16O5 and a molecular weight of 506.09 g/mol. Its IUPAC name is 1,1,2,2,3-pentafluoro-3-[1,2,2,3,3-pentafluoro-3-hydroxy-1-(2,3,3-trifluorooxiran-2-yl)propoxy]-3-(2,3,3-trifluorooxiran-2-yl)propan-1-ol.

Molecular Properties

Compound Name1,1,2,2,3-pentafluoro-3-[1,2,2,3,3-pentafluoro-3-hydroxy-1-(2,3,3-trifluorooxiran-2-yl)propoxy]-3-(2,3,3-trifluorooxiran-2-yl)propan-1-ol
PubChem CID139796501
Molecular FormulaC10H2F16O5
Molecular Weight506.09 g/mol
Exact Mass505.96
IUPAC Name1,1,2,2,3-pentafluoro-3-[1,2,2,3,3-pentafluoro-3-hydroxy-1-(2,3,3-trifluorooxiran-2-yl)propoxy]-3-(2,3,3-trifluorooxiran-2-yl)propan-1-ol
SMILESOC(F)(F)C(F)(F)C(F)(OC(F)(C(F)(F)C(O)(F)F)C1(F)OC1(F)F)C1(F)OC1(F)F
InChIInChI=1S/C10H2F16O5/c11-1(12,7(19,20)27)3(15,5(17)9(23,24)30-5)29-4(16,2(13,14)8(21,22)28)6(18)10(25,26)31-6/h27-28H
InChIKeyVAMDZKFVTYQLBB-UHFFFAOYSA-N
XLogP3.35
TPSA74.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.09
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3-pentafluoro-3-[1,2,2,3,3-pentafluoro-3-hydroxy-1-(2,3,3-trifluorooxiran-2-yl)propoxy]-3-(2,3,3-trifluorooxiran-2-yl)propan-1-ol?
The IUPAC name of 1,1,2,2,3-pentafluoro-3-[1,2,2,3,3-pentafluoro-3-hydroxy-1-(2,3,3-trifluorooxiran-2-yl)propoxy]-3-(2,3,3-trifluorooxiran-2-yl)propan-1-ol (CID 139796501) is 1,1,2,2,3-pentafluoro-3-[1,2,2,3,3-pentafluoro-3-hydroxy-1-(2,3,3-trifluorooxiran-2-yl)propoxy]-3-(2,3,3-trifluorooxiran-2-yl)propan-1-ol.
What is the SMILES notation for 1,1,2,2,3-pentafluoro-3-[1,2,2,3,3-pentafluoro-3-hydroxy-1-(2,3,3-trifluorooxiran-2-yl)propoxy]-3-(2,3,3-trifluorooxiran-2-yl)propan-1-ol?
The canonical SMILES for 1,1,2,2,3-pentafluoro-3-[1,2,2,3,3-pentafluoro-3-hydroxy-1-(2,3,3-trifluorooxiran-2-yl)propoxy]-3-(2,3,3-trifluorooxiran-2-yl)propan-1-ol is OC(F)(F)C(F)(F)C(F)(OC(F)(C(F)(F)C(O)(F)F)C1(F)OC1(F)F)C1(F)OC1(F)F.
What is the InChIKey of 1,1,2,2,3-pentafluoro-3-[1,2,2,3,3-pentafluoro-3-hydroxy-1-(2,3,3-trifluorooxiran-2-yl)propoxy]-3-(2,3,3-trifluorooxiran-2-yl)propan-1-ol?
The InChIKey is VAMDZKFVTYQLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H2F16O5/c11-1(12,7(19,20)27)3(15,5(17)9(23,24)30-5)29-4(16,2(13,14)8(21,22)28)6(18)10(25,26)31-6/h27-28H.
What are the key properties of 1,1,2,2,3-pentafluoro-3-[1,2,2,3,3-pentafluoro-3-hydroxy-1-(2,3,3-trifluorooxiran-2-yl)propoxy]-3-(2,3,3-trifluorooxiran-2-yl)propan-1-ol?
1,1,2,2,3-pentafluoro-3-[1,2,2,3,3-pentafluoro-3-hydroxy-1-(2,3,3-trifluorooxiran-2-yl)propoxy]-3-(2,3,3-trifluorooxiran-2-yl)propan-1-ol has a molecular weight of 506.09 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3-pentafluoro-3-[1,2,2,3,3-pentafluoro-3-hydroxy-1-(2,3,3-trifluorooxiran-2-yl)propoxy]-3-(2,3,3-trifluorooxiran-2-yl)propan-1-ol is sourced from PubChem (CID 139796501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).