1,2-dichloro-1,1,2-trifluoroethane chloride

C2HCl3F3- — CID 158973247

IUPAC1,2-dichloro-1,1,2-trifluoroethane chloride
SMILESFC(Cl)C(F)(F)Cl.[Cl-]
InChIInChI=1S/C2HCl2F3.ClH/c3-1(5)2(4,6)7;/h1H;1H/p-1
InChIKeyJOBPYUQIYFEZTK-UHFFFAOYSA-M
MW188.38 g/mol
LogP-0.64
Rot. Bonds1

About 1,2-dichloro-1,1,2-trifluoroethane chloride

1,2-dichloro-1,1,2-trifluoroethane chloride (PubChem CID 158973247) has the molecular formula C2HCl3F3- and a molecular weight of 188.38 g/mol. Its IUPAC name is 1,2-dichloro-1,1,2-trifluoroethane chloride.

Molecular Properties

Compound Name1,2-dichloro-1,1,2-trifluoroethane chloride
PubChem CID158973247
Molecular FormulaC2HCl3F3-
Molecular Weight188.38 g/mol
Exact Mass186.91
IUPAC Name1,2-dichloro-1,1,2-trifluoroethane chloride
SMILESFC(Cl)C(F)(F)Cl.[Cl-]
InChIInChI=1S/C2HCl2F3.ClH/c3-1(5)2(4,6)7;/h1H;1H/p-1
InChIKeyJOBPYUQIYFEZTK-UHFFFAOYSA-M
XLogP-0.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.38
LogP ≤ 5-0.64
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

chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
(3S)-1,3-dichloro-1,1,2,3-tetrafluoropropane
CID 102328647
2-chloro-1,2,2-trifluoroethanol
CID 57117523
chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689
(1R)-1-chloro-1,2-difluoro-2-methylpropane
CID 129383496
1,2-dichloro-1,2-difluoro-3-methylbutane
CID 56617093
1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane
CID 157380637
chloro(trifluoro)methane;1,1-difluoroethane
CID 161180973
1,1,3-trichloro-1,3-difluoropropane
CID 23295392
chloro(difluoro)methane;1-chloro-1,1,2,2,3,3-hexafluoropropane
CID 160658903
3,4-dichloro-3,4-difluoro-2-methylbut-1-ene
CID 119096846
chloro(difluoro)methane
CID 102425690

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-1,1,2-trifluoroethane chloride?
The IUPAC name of 1,2-dichloro-1,1,2-trifluoroethane chloride (CID 158973247) is 1,2-dichloro-1,1,2-trifluoroethane chloride.
What is the SMILES notation for 1,2-dichloro-1,1,2-trifluoroethane chloride?
The canonical SMILES for 1,2-dichloro-1,1,2-trifluoroethane chloride is FC(Cl)C(F)(F)Cl.[Cl-].
What is the InChIKey of 1,2-dichloro-1,1,2-trifluoroethane chloride?
The InChIKey is JOBPYUQIYFEZTK-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HCl2F3.ClH/c3-1(5)2(4,6)7;/h1H;1H/p-1.
What are the key properties of 1,2-dichloro-1,1,2-trifluoroethane chloride?
1,2-dichloro-1,1,2-trifluoroethane chloride has a molecular weight of 188.38 g/mol, XLogP of -0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-1,1,2-trifluoroethane chloride is sourced from PubChem (CID 158973247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).