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

C5Cl7F5O — CID 59509923

IUPAC1,1,3-trichloro-2,2,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane
SMILESFC(F)(Cl)C(F)(F)C(Cl)(Cl)OC(F)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C5Cl7F5O/c6-2(7,8)5(12,17)18-3(9,10)1(13,14)4(11,15)16
InChIKeyNXJZRIVOMVVPPU-UHFFFAOYSA-N
MW419.22 g/mol
LogP5.83
Rot. Bonds4

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

1,1,3-trichloro-2,2,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane (PubChem CID 59509923) has the molecular formula C5Cl7F5O and a molecular weight of 419.22 g/mol. Its IUPAC name is 1,1,3-trichloro-2,2,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane.

Molecular Properties

Compound Name1,1,3-trichloro-2,2,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane
PubChem CID59509923
Molecular FormulaC5Cl7F5O
Molecular Weight419.22 g/mol
Exact Mass415.77
IUPAC Name1,1,3-trichloro-2,2,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane
SMILESFC(F)(Cl)C(F)(F)C(Cl)(Cl)OC(F)(Cl)C(Cl)(Cl)Cl
InChIInChI=1S/C5Cl7F5O/c6-2(7,8)5(12,17)18-3(9,10)1(13,14)4(11,15)16
InChIKeyNXJZRIVOMVVPPU-UHFFFAOYSA-N
XLogP5.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,2-Dichloro-1,2,2-trifluoroethyl heptafluoropropyl ether
CID 10042673
1,2-Dichloro-1-(1,2-dichloro-1,2,2-trifluoroethoxy)-1,2,2-trifluoroethane
CID 22625247
1,1-Dichloro-1,2,2-trifluoro-2-(1,2,2-trichloro-1,2-difluoroethoxy)ethane
CID 59509934
2-Dichlorotrifluoroethyl ether
CID 129804557
2-Chloro-1,1,1,2,3,3-hexafluoro-3-(trichloromethoxy)propane
CID 71399091
Trifluorodi-chloroethyl pentachloroethyl ether
CID 85977875
2,2-Dichlorotrifluoroethyl 1,1,3-trichlorotetrafluoropropyl ether
CID 143775
1,2,4,4,6,7-Hexachloro-1,1,2,5,5,6,7,7-octafluoro-3-oxa-heptane
CID 12010405
1,2,4,6, 7-Pentachloro-1,1,2,4,5,5,6,7,7-nonafluoro-3-oxa-heptane
CID 12010406
1,2-Dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2,2-tetrachloro-1-fluoroethoxy)butane
CID 16655136
1,1,2-Trichloro-2,2-difluoro-1-(1,1,2-trichloro-2,2-difluoroethoxy)ethane
CID 22625251
1,2-Dichloro-1,1,2,3,3,4,4-heptafluoro-4-(1,2,2-trichloro-1,2-difluoroethoxy)butane
CID 58623361

Frequently Asked Questions

What is the IUPAC name of 1,1,3-trichloro-2,2,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane?
The IUPAC name of 1,1,3-trichloro-2,2,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane (CID 59509923) is 1,1,3-trichloro-2,2,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane.
What is the SMILES notation for 1,1,3-trichloro-2,2,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane?
The canonical SMILES for 1,1,3-trichloro-2,2,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane is FC(F)(Cl)C(F)(F)C(Cl)(Cl)OC(F)(Cl)C(Cl)(Cl)Cl.
What is the InChIKey of 1,1,3-trichloro-2,2,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane?
The InChIKey is NXJZRIVOMVVPPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5Cl7F5O/c6-2(7,8)5(12,17)18-3(9,10)1(13,14)4(11,15)16.
What are the key properties of 1,1,3-trichloro-2,2,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane?
1,1,3-trichloro-2,2,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane has a molecular weight of 419.22 g/mol, XLogP of 5.83, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-trichloro-2,2,3,3-tetrafluoro-1-(1,2,2,2-tetrachloro-1-fluoroethoxy)propane is sourced from PubChem (CID 59509923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).