[1,1,1,3-tetrafluoro-2-(3,3,3-trifluoropropoxy)propan-2-yl] hypofluorite

C6H6F8O2 — CID 20733511

IUPAC[1,1,1,3-tetrafluoro-2-(3,3,3-trifluoropropoxy)propan-2-yl] hypofluorite
SMILESFCC(OF)(OCCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F8O2/c7-3-4(16-14,6(11,12)13)15-2-1-5(8,9)10/h1-3H2
InChIKeyHRJAQTAKBPBHCL-UHFFFAOYSA-N
MW262.10 g/mol
LogP3.08
Rot. Bonds5

About [1,1,1,3-tetrafluoro-2-(3,3,3-trifluoropropoxy)propan-2-yl] hypofluorite

[1,1,1,3-tetrafluoro-2-(3,3,3-trifluoropropoxy)propan-2-yl] hypofluorite (PubChem CID 20733511) has the molecular formula C6H6F8O2 and a molecular weight of 262.10 g/mol. Its IUPAC name is [1,1,1,3-tetrafluoro-2-(3,3,3-trifluoropropoxy)propan-2-yl] hypofluorite.

Molecular Properties

Compound Name[1,1,1,3-tetrafluoro-2-(3,3,3-trifluoropropoxy)propan-2-yl] hypofluorite
PubChem CID20733511
Molecular FormulaC6H6F8O2
Molecular Weight262.10 g/mol
Exact Mass262.02
IUPAC Name[1,1,1,3-tetrafluoro-2-(3,3,3-trifluoropropoxy)propan-2-yl] hypofluorite
SMILESFCC(OF)(OCCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F8O2/c7-3-4(16-14,6(11,12)13)15-2-1-5(8,9)10/h1-3H2
InChIKeyHRJAQTAKBPBHCL-UHFFFAOYSA-N
XLogP3.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.10
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,1,1,3-tetrafluoro-2-(3,3,3-trifluoropropoxy)propan-2-yl] hypofluorite?
The IUPAC name of [1,1,1,3-tetrafluoro-2-(3,3,3-trifluoropropoxy)propan-2-yl] hypofluorite (CID 20733511) is [1,1,1,3-tetrafluoro-2-(3,3,3-trifluoropropoxy)propan-2-yl] hypofluorite.
What is the SMILES notation for [1,1,1,3-tetrafluoro-2-(3,3,3-trifluoropropoxy)propan-2-yl] hypofluorite?
The canonical SMILES for [1,1,1,3-tetrafluoro-2-(3,3,3-trifluoropropoxy)propan-2-yl] hypofluorite is FCC(OF)(OCCC(F)(F)F)C(F)(F)F.
What is the InChIKey of [1,1,1,3-tetrafluoro-2-(3,3,3-trifluoropropoxy)propan-2-yl] hypofluorite?
The InChIKey is HRJAQTAKBPBHCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O2/c7-3-4(16-14,6(11,12)13)15-2-1-5(8,9)10/h1-3H2.
What are the key properties of [1,1,1,3-tetrafluoro-2-(3,3,3-trifluoropropoxy)propan-2-yl] hypofluorite?
[1,1,1,3-tetrafluoro-2-(3,3,3-trifluoropropoxy)propan-2-yl] hypofluorite has a molecular weight of 262.10 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,1,3-tetrafluoro-2-(3,3,3-trifluoropropoxy)propan-2-yl] hypofluorite is sourced from PubChem (CID 20733511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).