chloro(fluoro)methane;1-chloro-1,1,2,2,2-pentafluoroethane

C3H2Cl2F6 — CID 157372946

IUPACchloro(fluoro)methane;1-chloro-1,1,2,2,2-pentafluoroethane
SMILESFC(F)(F)C(F)(F)Cl.FCCl
InChIInChI=1S/C2ClF5.CH2ClF/c3-1(4,5)2(6,7)8;2-1-3/h;1H2
InChIKeyVXIIAKOIWXEPAH-UHFFFAOYSA-N
MW222.94 g/mol
LogP3.53
Rot. Bonds

About chloro(fluoro)methane;1-chloro-1,1,2,2,2-pentafluoroethane

chloro(fluoro)methane;1-chloro-1,1,2,2,2-pentafluoroethane (PubChem CID 157372946) has the molecular formula C3H2Cl2F6 and a molecular weight of 222.94 g/mol. Its IUPAC name is chloro(fluoro)methane;1-chloro-1,1,2,2,2-pentafluoroethane.

Molecular Properties

Compound Namechloro(fluoro)methane;1-chloro-1,1,2,2,2-pentafluoroethane
PubChem CID157372946
Molecular FormulaC3H2Cl2F6
Molecular Weight222.94 g/mol
Exact Mass221.94
IUPAC Namechloro(fluoro)methane;1-chloro-1,1,2,2,2-pentafluoroethane
SMILESFC(F)(F)C(F)(F)Cl.FCCl
InChIInChI=1S/C2ClF5.CH2ClF/c3-1(4,5)2(6,7)8;2-1-3/h;1H2
InChIKeyVXIIAKOIWXEPAH-UHFFFAOYSA-N
XLogP3.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.94
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-1,1,2,2,2-pentafluoroethane;ethane
CID 141108517
1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 6429
1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 76970302
1,1,1,2-tetrachloro-2,2-difluoroethane
CID 6426
chloro(fluoro)methane;1,2-difluoroethane
CID 88793824
chloro(fluoro)methane;molecular hydrogen
CID 174677093
1,1,1-trichloro-2,2,2-trifluoroethane
CID 9635
1,1,2-trichloro-1-fluoroethane;hydrofluoride
CID 87631220
1,1,1,2-tetrachloroethane;1,1,2-trichloro-1-fluoroethane
CID 88595352
1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
CID 2736851
(2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane
CID 98047490
2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane
CID 154106532

Frequently Asked Questions

What is the IUPAC name of chloro(fluoro)methane;1-chloro-1,1,2,2,2-pentafluoroethane?
The IUPAC name of chloro(fluoro)methane;1-chloro-1,1,2,2,2-pentafluoroethane (CID 157372946) is chloro(fluoro)methane;1-chloro-1,1,2,2,2-pentafluoroethane.
What is the SMILES notation for chloro(fluoro)methane;1-chloro-1,1,2,2,2-pentafluoroethane?
The canonical SMILES for chloro(fluoro)methane;1-chloro-1,1,2,2,2-pentafluoroethane is FC(F)(F)C(F)(F)Cl.FCCl.
What is the InChIKey of chloro(fluoro)methane;1-chloro-1,1,2,2,2-pentafluoroethane?
The InChIKey is VXIIAKOIWXEPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C2ClF5.CH2ClF/c3-1(4,5)2(6,7)8;2-1-3/h;1H2.
What are the key properties of chloro(fluoro)methane;1-chloro-1,1,2,2,2-pentafluoroethane?
chloro(fluoro)methane;1-chloro-1,1,2,2,2-pentafluoroethane has a molecular weight of 222.94 g/mol, XLogP of 3.53, 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-chloro-1,1,2,2,2-pentafluoroethane is sourced from PubChem (CID 157372946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).