1,1,2,2-tetrachloro-1-fluoro-2-(trifluoromethoxy)ethane

C3Cl4F4O — CID 15700925

IUPAC1,1,2,2-tetrachloro-1-fluoro-2-(trifluoromethoxy)ethane
SMILESFC(F)(F)OC(Cl)(Cl)C(F)(Cl)Cl
InChIInChI=1S/C3Cl4F4O/c4-1(5,8)2(6,7)12-3(9,10)11
InChIKeyPFZXMFHYUMSBDY-UHFFFAOYSA-N
MW269.84 g/mol
LogP3.76
Rot. Bonds2

About 1,1,2,2-tetrachloro-1-fluoro-2-(trifluoromethoxy)ethane

1,1,2,2-tetrachloro-1-fluoro-2-(trifluoromethoxy)ethane (PubChem CID 15700925) has the molecular formula C3Cl4F4O and a molecular weight of 269.84 g/mol. Its IUPAC name is 1,1,2,2-tetrachloro-1-fluoro-2-(trifluoromethoxy)ethane.

Molecular Properties

Compound Name1,1,2,2-tetrachloro-1-fluoro-2-(trifluoromethoxy)ethane
PubChem CID15700925
Molecular FormulaC3Cl4F4O
Molecular Weight269.84 g/mol
Exact Mass267.86
IUPAC Name1,1,2,2-tetrachloro-1-fluoro-2-(trifluoromethoxy)ethane
SMILESFC(F)(F)OC(Cl)(Cl)C(F)(Cl)Cl
InChIInChI=1S/C3Cl4F4O/c4-1(5,8)2(6,7)12-3(9,10)11
InChIKeyPFZXMFHYUMSBDY-UHFFFAOYSA-N
XLogP3.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,2-tetrachloro-2-fluoro-2-(trifluoromethoxy)ethane
CID 59509986
lithium;hydride;trifluoro(trifluoromethoxy)methane
CID 175091169
1,2-dichloro-1,1,2,3,3-pentafluoro-3-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]propane
CID 11463803
1,1-dichloro-4-(4,4-dichloro-1,1,2,2,3,3,4-heptafluorobutoxy)-1,2,2,3,3,4,4-heptafluorobutane
CID 22001044
1,1,1-trifluoro-2,2,2-tris(trifluoromethoxy)ethane
CID 140581421
1,2-dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane
CID 22625247
3-chloro-1,1,1,2,3,4,4-heptafluoro-2-iodo-4-(trifluoromethoxy)butane
CID 19917287
(2-chloro-1,1,2,2-tetrafluoroethyl) hypochlorite;1,1-dichloro-1,2,2,2-tetrafluoroethane
CID 158421583
dichloro(difluoro)methane;1,1-dichloro-1,2,2,2-tetrafluoroethane
CID 87764597
1,2,3-trichloro-1,1,2,3-tetrafluoro-3-(1,2,2-trichloro-1,2-difluoroethoxy)propane
CID 59509974
1,1-dichloro-1,2,2,2-tetrafluoroethane;1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 76970302
1,2-dichloro-1,1,2,2-tetrafluoroethane
CID 6429

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2-tetrachloro-1-fluoro-2-(trifluoromethoxy)ethane?
The IUPAC name of 1,1,2,2-tetrachloro-1-fluoro-2-(trifluoromethoxy)ethane (CID 15700925) is 1,1,2,2-tetrachloro-1-fluoro-2-(trifluoromethoxy)ethane.
What is the SMILES notation for 1,1,2,2-tetrachloro-1-fluoro-2-(trifluoromethoxy)ethane?
The canonical SMILES for 1,1,2,2-tetrachloro-1-fluoro-2-(trifluoromethoxy)ethane is FC(F)(F)OC(Cl)(Cl)C(F)(Cl)Cl.
What is the InChIKey of 1,1,2,2-tetrachloro-1-fluoro-2-(trifluoromethoxy)ethane?
The InChIKey is PFZXMFHYUMSBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl4F4O/c4-1(5,8)2(6,7)12-3(9,10)11.
What are the key properties of 1,1,2,2-tetrachloro-1-fluoro-2-(trifluoromethoxy)ethane?
1,1,2,2-tetrachloro-1-fluoro-2-(trifluoromethoxy)ethane has a molecular weight of 269.84 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrachloro-1-fluoro-2-(trifluoromethoxy)ethane is sourced from PubChem (CID 15700925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).