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

C3Cl4F6 — CID 87764597

IUPACdichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane
SMILESFC(F)(Cl)Cl.FC(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C2Cl2F4.CCl2F2/c3-1(4,5)2(6,7)8;2-1(3,4)5
InChIKeyLMMBGFRHSXBSQC-UHFFFAOYSA-N
MW291.83 g/mol
LogP4.66
Rot. Bonds

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

dichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane (PubChem CID 87764597) has the molecular formula C3Cl4F6 and a molecular weight of 291.83 g/mol. Its IUPAC name is dichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane.

Molecular Properties

Compound Namedichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane
PubChem CID87764597
Molecular FormulaC3Cl4F6
Molecular Weight291.83 g/mol
Exact Mass289.87
IUPAC Namedichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane
SMILESFC(F)(Cl)Cl.FC(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C2Cl2F4.CCl2F2/c3-1(4,5)2(6,7)8;2-1(3,4)5
InChIKeyLMMBGFRHSXBSQC-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.83
LogP ≤ 54.66
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(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane?
The IUPAC name of dichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane (CID 87764597) is dichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane.
What is the SMILES notation for dichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane?
The canonical SMILES for dichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane is FC(F)(Cl)Cl.FC(F)(F)C(F)(Cl)Cl.
What is the InChIKey of dichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane?
The InChIKey is LMMBGFRHSXBSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Cl2F4.CCl2F2/c3-1(4,5)2(6,7)8;2-1(3,4)5.
What are the key properties of dichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane?
dichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane has a molecular weight of 291.83 g/mol, XLogP of 4.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane is sourced from PubChem (CID 87764597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).