(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl) hypofluorite

C6H7F7O2 — CID 58862904

IUPAC(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl) hypofluorite
SMILESCCCOC(OF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F7O2/c1-2-3-14-4(15-13,5(7,8)9)6(10,11)12/h2-3H2,1H3
InChIKeyNKGNZFGKTQJILZ-UHFFFAOYSA-N
MW244.11 g/mol
LogP3.13
Rot. Bonds4

About (1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl) hypofluorite

(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl) hypofluorite (PubChem CID 58862904) has the molecular formula C6H7F7O2 and a molecular weight of 244.11 g/mol. Its IUPAC name is (1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl) hypofluorite.

Molecular Properties

Compound Name(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl) hypofluorite
PubChem CID58862904
Molecular FormulaC6H7F7O2
Molecular Weight244.11 g/mol
Exact Mass244.03
IUPAC Name(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl) hypofluorite
SMILESCCCOC(OF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F7O2/c1-2-3-14-4(15-13,5(7,8)9)6(10,11)12/h2-3H2,1H3
InChIKeyNKGNZFGKTQJILZ-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 53.13
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 (1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl) hypofluorite?
The IUPAC name of (1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl) hypofluorite (CID 58862904) is (1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl) hypofluorite.
What is the SMILES notation for (1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl) hypofluorite?
The canonical SMILES for (1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl) hypofluorite is CCCOC(OF)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl) hypofluorite?
The InChIKey is NKGNZFGKTQJILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7O2/c1-2-3-14-4(15-13,5(7,8)9)6(10,11)12/h2-3H2,1H3.
What are the key properties of (1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl) hypofluorite?
(1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl) hypofluorite has a molecular weight of 244.11 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1,3,3,3-hexafluoro-2-propoxypropan-2-yl) hypofluorite is sourced from PubChem (CID 58862904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).