trichloro(difluoromethoxy)methane

C2HCl3F2O — CID 10986989

IUPACtrichloro(difluoromethoxy)methane
SMILESFC(F)OC(Cl)(Cl)Cl
InChIInChI=1S/C2HCl3F2O/c3-2(4,5)8-1(6)7/h1H
InChIKeyUXBJGCYMOCOALY-UHFFFAOYSA-N
MW185.38 g/mol
LogP2.55
Rot. Bonds1

About trichloro(difluoromethoxy)methane

trichloro(difluoromethoxy)methane (PubChem CID 10986989) has the molecular formula C2HCl3F2O and a molecular weight of 185.38 g/mol. Its IUPAC name is trichloro(difluoromethoxy)methane.

Molecular Properties

Compound Nametrichloro(difluoromethoxy)methane
PubChem CID10986989
Molecular FormulaC2HCl3F2O
Molecular Weight185.38 g/mol
Exact Mass183.91
IUPAC Nametrichloro(difluoromethoxy)methane
SMILESFC(F)OC(Cl)(Cl)Cl
InChIInChI=1S/C2HCl3F2O/c3-2(4,5)8-1(6)7/h1H
InChIKeyUXBJGCYMOCOALY-UHFFFAOYSA-N
XLogP2.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.38
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trichloro(difluoromethoxy)methane?
The IUPAC name of trichloro(difluoromethoxy)methane (CID 10986989) is trichloro(difluoromethoxy)methane.
What is the SMILES notation for trichloro(difluoromethoxy)methane?
The canonical SMILES for trichloro(difluoromethoxy)methane is FC(F)OC(Cl)(Cl)Cl.
What is the InChIKey of trichloro(difluoromethoxy)methane?
The InChIKey is UXBJGCYMOCOALY-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HCl3F2O/c3-2(4,5)8-1(6)7/h1H.
What are the key properties of trichloro(difluoromethoxy)methane?
trichloro(difluoromethoxy)methane has a molecular weight of 185.38 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trichloro(difluoromethoxy)methane is sourced from PubChem (CID 10986989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).