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

C3HF7O2 — CID 88543467

IUPAC(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl) hypofluorite
SMILESOC(OF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O2/c4-2(5,6)1(11,12-10)3(7,8)9/h11H
InChIKeyCEXMKBOEQMHSPE-UHFFFAOYSA-N
MW202.03 g/mol
LogP1.70
Rot. Bonds1

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

(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl) hypofluorite (PubChem CID 88543467) has the molecular formula C3HF7O2 and a molecular weight of 202.03 g/mol. Its IUPAC name is (1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl) hypofluorite.

Molecular Properties

Compound Name(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl) hypofluorite
PubChem CID88543467
Molecular FormulaC3HF7O2
Molecular Weight202.03 g/mol
Exact Mass201.99
IUPAC Name(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl) hypofluorite
SMILESOC(OF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C3HF7O2/c4-2(5,6)1(11,12-10)3(7,8)9/h11H
InChIKeyCEXMKBOEQMHSPE-UHFFFAOYSA-N
XLogP1.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.03
LogP ≤ 51.70
H-Bond Donors ≤ 51
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-hydroxypropan-2-yl) hypofluorite?
The IUPAC name of (1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl) hypofluorite (CID 88543467) is (1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl) hypofluorite.
What is the SMILES notation for (1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl) hypofluorite?
The canonical SMILES for (1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl) hypofluorite is OC(OF)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of (1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl) hypofluorite?
The InChIKey is CEXMKBOEQMHSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF7O2/c4-2(5,6)1(11,12-10)3(7,8)9/h11H.
What are the key properties of (1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl) hypofluorite?
(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl) hypofluorite has a molecular weight of 202.03 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 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-hydroxypropan-2-yl) hypofluorite is sourced from PubChem (CID 88543467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).