(1,1,1-trifluoro-2-methylpropan-2-yl) hypochlorite

C4H6ClF3O — CID 71334106

IUPAC(1,1,1-trifluoro-2-methylpropan-2-yl) hypochlorite
SMILESCC(C)(OCl)C(F)(F)F
InChIInChI=1S/C4H6ClF3O/c1-3(2,9-5)4(6,7)8/h1-2H3
InChIKeyFXUCGTZCHJUMGE-UHFFFAOYSA-N
MW162.54 g/mol
LogP2.50
Rot. Bonds1

About (1,1,1-trifluoro-2-methylpropan-2-yl) hypochlorite

(1,1,1-trifluoro-2-methylpropan-2-yl) hypochlorite (PubChem CID 71334106) has the molecular formula C4H6ClF3O and a molecular weight of 162.54 g/mol. Its IUPAC name is (1,1,1-trifluoro-2-methylpropan-2-yl) hypochlorite.

Molecular Properties

Compound Name(1,1,1-trifluoro-2-methylpropan-2-yl) hypochlorite
PubChem CID71334106
Molecular FormulaC4H6ClF3O
Molecular Weight162.54 g/mol
Exact Mass162.01
IUPAC Name(1,1,1-trifluoro-2-methylpropan-2-yl) hypochlorite
SMILESCC(C)(OCl)C(F)(F)F
InChIInChI=1S/C4H6ClF3O/c1-3(2,9-5)4(6,7)8/h1-2H3
InChIKeyFXUCGTZCHJUMGE-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.54
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1,1,1-trifluoro-2-methylpropan-2-yl) hypochlorite?
The IUPAC name of (1,1,1-trifluoro-2-methylpropan-2-yl) hypochlorite (CID 71334106) is (1,1,1-trifluoro-2-methylpropan-2-yl) hypochlorite.
What is the SMILES notation for (1,1,1-trifluoro-2-methylpropan-2-yl) hypochlorite?
The canonical SMILES for (1,1,1-trifluoro-2-methylpropan-2-yl) hypochlorite is CC(C)(OCl)C(F)(F)F.
What is the InChIKey of (1,1,1-trifluoro-2-methylpropan-2-yl) hypochlorite?
The InChIKey is FXUCGTZCHJUMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6ClF3O/c1-3(2,9-5)4(6,7)8/h1-2H3.
What are the key properties of (1,1,1-trifluoro-2-methylpropan-2-yl) hypochlorite?
(1,1,1-trifluoro-2-methylpropan-2-yl) hypochlorite has a molecular weight of 162.54 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1,1-trifluoro-2-methylpropan-2-yl) hypochlorite is sourced from PubChem (CID 71334106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).