chloro(fluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane

C3H2Cl4F4 — CID 162534492

IUPACchloro(fluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
SMILESFC(F)(F)C(Cl)(Cl)Cl.FCCl
InChIInChI=1S/C2Cl3F3.CH2ClF/c3-1(4,5)2(6,7)8;2-1-3/h;1H2
InChIKeyBCYMUXAICMKCCT-UHFFFAOYSA-N
MW255.85 g/mol
LogP4.07
Rot. Bonds

About chloro(fluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane

chloro(fluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane (PubChem CID 162534492) has the molecular formula C3H2Cl4F4 and a molecular weight of 255.85 g/mol. Its IUPAC name is chloro(fluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane.

Molecular Properties

Compound Namechloro(fluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
PubChem CID162534492
Molecular FormulaC3H2Cl4F4
Molecular Weight255.85 g/mol
Exact Mass253.88
IUPAC Namechloro(fluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
SMILESFC(F)(F)C(Cl)(Cl)Cl.FCCl
InChIInChI=1S/C2Cl3F3.CH2ClF/c3-1(4,5)2(6,7)8;2-1-3/h;1H2
InChIKeyBCYMUXAICMKCCT-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.85
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 chloro(fluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane?
The IUPAC name of chloro(fluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane (CID 162534492) is chloro(fluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane.
What is the SMILES notation for chloro(fluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane?
The canonical SMILES for chloro(fluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane is FC(F)(F)C(Cl)(Cl)Cl.FCCl.
What is the InChIKey of chloro(fluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane?
The InChIKey is BCYMUXAICMKCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Cl3F3.CH2ClF/c3-1(4,5)2(6,7)8;2-1-3/h;1H2.
What are the key properties of chloro(fluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane?
chloro(fluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane has a molecular weight of 255.85 g/mol, XLogP of 4.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(fluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane is sourced from PubChem (CID 162534492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).