dichloro(fluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane

C3HCl4F5 — CID 88724566

IUPACdichloro(fluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane
SMILESFC(Cl)Cl.FC(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C2Cl2F4.CHCl2F/c3-1(4,5)2(6,7)8;2-1(3)4/h;1H
InChIKeyNBXKRDDJLRBEOV-UHFFFAOYSA-N
MW273.84 g/mol
LogP4.37
Rot. Bonds

About dichloro(fluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane

dichloro(fluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane (PubChem CID 88724566) has the molecular formula C3HCl4F5 and a molecular weight of 273.84 g/mol. Its IUPAC name is dichloro(fluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane.

Molecular Properties

Compound Namedichloro(fluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane
PubChem CID88724566
Molecular FormulaC3HCl4F5
Molecular Weight273.84 g/mol
Exact Mass271.88
IUPAC Namedichloro(fluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane
SMILESFC(Cl)Cl.FC(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C2Cl2F4.CHCl2F/c3-1(4,5)2(6,7)8;2-1(3)4/h;1H
InChIKeyNBXKRDDJLRBEOV-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.84
LogP ≤ 54.37
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 dichloro(fluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane?
The IUPAC name of dichloro(fluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane (CID 88724566) is dichloro(fluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane.
What is the SMILES notation for dichloro(fluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane?
The canonical SMILES for dichloro(fluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane is FC(Cl)Cl.FC(F)(F)C(F)(Cl)Cl.
What is the InChIKey of dichloro(fluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane?
The InChIKey is NBXKRDDJLRBEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Cl2F4.CHCl2F/c3-1(4,5)2(6,7)8;2-1(3)4/h;1H.
What are the key properties of dichloro(fluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane?
dichloro(fluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane has a molecular weight of 273.84 g/mol, XLogP of 4.37, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(fluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane is sourced from PubChem (CID 88724566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).