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

C3HCl4F5 — CID 88770689

IUPACchloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
SMILESFC(F)(F)C(Cl)(Cl)Cl.FC(F)Cl
InChIInChI=1S/C2Cl3F3.CHClF2/c3-1(4,5)2(6,7)8;2-1(3)4/h;1H
InChIKeyCKGAHLHNZRUADX-UHFFFAOYSA-N
MW273.84 g/mol
LogP4.37
Rot. Bonds

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

chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane (PubChem CID 88770689) has the molecular formula C3HCl4F5 and a molecular weight of 273.84 g/mol. Its IUPAC name is chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane.

Molecular Properties

Compound Namechloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
PubChem CID88770689
Molecular FormulaC3HCl4F5
Molecular Weight273.84 g/mol
Exact Mass271.88
IUPAC Namechloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
SMILESFC(F)(F)C(Cl)(Cl)Cl.FC(F)Cl
InChIInChI=1S/C2Cl3F3.CHClF2/c3-1(4,5)2(6,7)8;2-1(3)4/h;1H
InChIKeyCKGAHLHNZRUADX-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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Related Compounds

1,1,1-trichloro-2,2,2-trifluoroethane
CID 9635
chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane
CID 157380637
chloro(difluoro)methane
CID 102425690
chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane
CID 160658903
1,2-dichloro-1,1,2-trifluoroethane chloride
CID 158973247
2,2,3-trichloro-1,1,1,4,4-pentafluorobutane
CID 18915995
(3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane
CID 102328647
1,1,1,2-tetrachloro-2,2-difluoroethane
CID 6426
chloro(trifluoro)methane;1,1-difluoroethane
CID 161180973
2,3,3,4,4-pentachloro-1,1,1,2-tetrafluorobutane
CID 87308636
1,1,3-trichloro-1,3-difluoropropane
CID 23295392

Frequently Asked Questions

What is the IUPAC name of chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane?
The IUPAC name of chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane (CID 88770689) is chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane.
What is the SMILES notation for chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane?
The canonical SMILES for chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane is FC(F)(F)C(Cl)(Cl)Cl.FC(F)Cl.
What is the InChIKey of chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane?
The InChIKey is CKGAHLHNZRUADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2Cl3F3.CHClF2/c3-1(4,5)2(6,7)8;2-1(3)4/h;1H.
What are the key properties of chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane?
chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane 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 chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane is sourced from PubChem (CID 88770689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).