1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane

C4Cl4F8 — CID 76970302

IUPAC1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane
SMILESFC(F)(Cl)C(F)(F)Cl.FC(F)(F)C(F)(Cl)Cl
InChIInChI=1S/2C2Cl2F4/c3-1(5,6)2(4,7)8;3-1(4,5)2(6,7)8
InChIKeyFOHKESWVBSLFCV-UHFFFAOYSA-N
MW341.84 g/mol
LogP5.30
Rot. Bonds1

About 1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane

1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane (PubChem CID 76970302) has the molecular formula C4Cl4F8 and a molecular weight of 341.84 g/mol. Its IUPAC name is 1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane.

Molecular Properties

Compound Name1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane
PubChem CID76970302
Molecular FormulaC4Cl4F8
Molecular Weight341.84 g/mol
Exact Mass339.86
IUPAC Name1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane
SMILESFC(F)(Cl)C(F)(F)Cl.FC(F)(F)C(F)(Cl)Cl
InChIInChI=1S/2C2Cl2F4/c3-1(5,6)2(4,7)8;3-1(4,5)2(6,7)8
InChIKeyFOHKESWVBSLFCV-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.84
LogP ≤ 55.30
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'}

Analyze 1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

dichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane
CID 87764597
1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 6429
(2-chloro-1,1,2,2-tetrafluoroethyl) hypochlorite;1,1-dichloro-1,2,2,2-tetrafluoroethane
CID 158421583
1-chloro-1,1,2,2,2-pentafluoroethane;ethane
CID 141108517
1-chloro-1,1,2,2,3,3,3-heptafluoropropane;bis(1,1-dichloro-1,2,2,3,3,3-hexafluoropropane)
CID 22412566
1,1,1,2-tetrachloro-2,2-difluoroethane
CID 6426
1,1,1-trichloro-2,2,2-trifluoroethane
CID 9635
chloro(fluoro)methane;1-chloro-1,1,2,2,2-pentafluoroethane
CID 157372946
(2S,3S)-1,2,3,4-tetrachloro-1,1,2,3,4,4-hexafluorobutane
CID 98047490
1,6-dichloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorohexane
CID 2736851
2,3-dichloro-1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane
CID 154106532
1,1,3-trichloro-1,2,2,3,4,4,4-heptafluorobutane
CID 154303598

Frequently Asked Questions

What is the IUPAC name of 1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane?
The IUPAC name of 1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane (CID 76970302) is 1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane.
What is the SMILES notation for 1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane?
The canonical SMILES for 1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane is FC(F)(Cl)C(F)(F)Cl.FC(F)(F)C(F)(Cl)Cl.
What is the InChIKey of 1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane?
The InChIKey is FOHKESWVBSLFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C2Cl2F4/c3-1(5,6)2(4,7)8;3-1(4,5)2(6,7)8.
What are the key properties of 1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane?
1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane has a molecular weight of 341.84 g/mol, XLogP of 5.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane is sourced from PubChem (CID 76970302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).