2-[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-(2-fluorooxyethoxy)propoxy]ethyl hypofluorite

C34H62F8O21 — CID 135274593

IUPAC2-[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-(2-fluorooxyethoxy)propoxy]ethyl hypofluorite
SMILESFOCCOCC(COCCOF)OCC(COC(COCCOF)COCCOF)OC(COC(COCCOF)COCCOF)COC(COCCOF)COCCOF
InChIInChI=1S/C34H62F8O21/c35-55-9-1-43-17-29(18-44-2-10-56-36)51-25-33(26-52-30(19-45-3-11-57-37)20-46-4-12-58-38)63-34(27-53-31(21-47-5-13-59-39)22-48-6-14-60-40)28-54-32(23-49-7-15-61-41)24-50-8-16-62-42/h29-34H,1-28H2
InChIKeySDPYXQLMSPHAIL-UHFFFAOYSA-N
MW958.83 g/mol
LogP2.62
Rot. Bonds54

About 2-[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-(2-fluorooxyethoxy)propoxy]ethyl hypofluorite

2-[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-(2-fluorooxyethoxy)propoxy]ethyl hypofluorite (PubChem CID 135274593) has the molecular formula C34H62F8O21 and a molecular weight of 958.83 g/mol. Its IUPAC name is 2-[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-(2-fluorooxyethoxy)propoxy]ethyl hypofluorite.

Molecular Properties

Compound Name2-[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-(2-fluorooxyethoxy)propoxy]ethyl hypofluorite
PubChem CID135274593
Molecular FormulaC34H62F8O21
Molecular Weight958.83 g/mol
Exact Mass958.37
IUPAC Name2-[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-(2-fluorooxyethoxy)propoxy]ethyl hypofluorite
SMILESFOCCOCC(COCCOF)OCC(COC(COCCOF)COCCOF)OC(COC(COCCOF)COCCOF)COC(COCCOF)COCCOF
InChIInChI=1S/C34H62F8O21/c35-55-9-1-43-17-29(18-44-2-10-56-36)51-25-33(26-52-30(19-45-3-11-57-37)20-46-4-12-58-38)63-34(27-53-31(21-47-5-13-59-39)22-48-6-14-60-40)28-54-32(23-49-7-15-61-41)24-50-8-16-62-42/h29-34H,1-28H2
InChIKeySDPYXQLMSPHAIL-UHFFFAOYSA-N
XLogP2.62
TPSA193.83 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds54
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500958.83
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-(2-fluorooxyethoxy)propoxy]ethyl hypofluorite with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-(2-fluorooxyethoxy)propoxy]ethyl hypofluorite?
The IUPAC name of 2-[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-(2-fluorooxyethoxy)propoxy]ethyl hypofluorite (CID 135274593) is 2-[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-(2-fluorooxyethoxy)propoxy]ethyl hypofluorite.
What is the SMILES notation for 2-[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-(2-fluorooxyethoxy)propoxy]ethyl hypofluorite?
The canonical SMILES for 2-[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-(2-fluorooxyethoxy)propoxy]ethyl hypofluorite is FOCCOCC(COCCOF)OCC(COC(COCCOF)COCCOF)OC(COC(COCCOF)COCCOF)COC(COCCOF)COCCOF.
What is the InChIKey of 2-[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-(2-fluorooxyethoxy)propoxy]ethyl hypofluorite?
The InChIKey is SDPYXQLMSPHAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H62F8O21/c35-55-9-1-43-17-29(18-44-2-10-56-36)51-25-33(26-52-30(19-45-3-11-57-37)20-46-4-12-58-38)63-34(27-53-31(21-47-5-13-59-39)22-48-6-14-60-40)28-54-32(23-49-7-15-61-41)24-50-8-16-62-42/h29-34H,1-28H2.
What are the key properties of 2-[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-(2-fluorooxyethoxy)propoxy]ethyl hypofluorite?
2-[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-(2-fluorooxyethoxy)propoxy]ethyl hypofluorite has a molecular weight of 958.83 g/mol, XLogP of 2.62, 54 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-(2-fluorooxyethoxy)propoxy]ethyl hypofluorite is sourced from PubChem (CID 135274593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).