1,1,2-trichloro-2,3,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane

C5Cl7F5O — CID 59509941

IUPAC1,1,2-trichloro-2,3,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane
SMILESFC(F)(F)C(F)(Cl)C(Cl)(Cl)OC(F)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C5Cl7F5O/c6-1(13,5(15,16)17)3(10,11)18-4(12,14)2(7,8)9
InChIKeyJVSVUTCONPTSAB-UHFFFAOYSA-N
MW419.22 g/mol
LogP5.83
Rot. Bonds3

About 1,1,2-trichloro-2,3,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane

1,1,2-trichloro-2,3,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane (PubChem CID 59509941) has the molecular formula C5Cl7F5O and a molecular weight of 419.22 g/mol. Its IUPAC name is 1,1,2-trichloro-2,3,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane.

Molecular Properties

Compound Name1,1,2-trichloro-2,3,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane
PubChem CID59509941
Molecular FormulaC5Cl7F5O
Molecular Weight419.22 g/mol
Exact Mass415.77
IUPAC Name1,1,2-trichloro-2,3,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane
SMILESFC(F)(F)C(F)(Cl)C(Cl)(Cl)OC(F)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C5Cl7F5O/c6-1(13,5(15,16)17)3(10,11)18-4(12,14)2(7,8)9
InChIKeyJVSVUTCONPTSAB-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.22
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trichloro-2,3,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane?
The IUPAC name of 1,1,2-trichloro-2,3,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane (CID 59509941) is 1,1,2-trichloro-2,3,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane.
What is the SMILES notation for 1,1,2-trichloro-2,3,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane?
The canonical SMILES for 1,1,2-trichloro-2,3,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane is FC(F)(F)C(F)(Cl)C(Cl)(Cl)OC(F)(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,2-trichloro-2,3,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane?
The InChIKey is JVSVUTCONPTSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl7F5O/c6-1(13,5(15,16)17)3(10,11)18-4(12,14)2(7,8)9.
What are the key properties of 1,1,2-trichloro-2,3,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane?
1,1,2-trichloro-2,3,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane has a molecular weight of 419.22 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trichloro-2,3,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane is sourced from PubChem (CID 59509941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).