1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane

C5HCl3F8O — CID 175726700

IUPAC1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane
SMILESFC(Cl)C(Cl)(Cl)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HCl3F8O/c6-1(9)2(7,8)17-5(15,16)3(10,11)4(12,13)14/h1H
InChIKeyKRLGVZRUZIAXBB-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.46
Rot. Bonds4

About 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane

1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane (PubChem CID 175726700) has the molecular formula C5HCl3F8O and a molecular weight of 335.41 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane
PubChem CID175726700
Molecular FormulaC5HCl3F8O
Molecular Weight335.41 g/mol
Exact Mass333.90
IUPAC Name1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane
SMILESFC(Cl)C(Cl)(Cl)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HCl3F8O/c6-1(9)2(7,8)17-5(15,16)3(10,11)4(12,13)14/h1H
InChIKeyKRLGVZRUZIAXBB-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.46
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

1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane
CID 10968705
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-henicosafluoro-10-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-henicosafluorodecoxy)decane
CID 18625066
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2,2,2-pentafluoroethoxy)propane;methane
CID 160879773
1-chloro-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluoro-6-(1,1,2,2,2-pentafluoroethoxy)hexane
CID 12829603
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanal
CID 15717421
[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)ethyl] hypofluorite
CID 170110314
1,1,1,2,2,3,3-heptafluoro-3-[(1S)-1,2,2,2-tetrafluoro-1-iodoethoxy]propane
CID 96560026
1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
CID 59685373
4,5,5,5-tetrafluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)pent-2-en-1-ol
CID 131851868
(2R)-1,1,1,2,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propoxy]-3-[(1S)-1,2,2,2-tetrafluoroethoxy]propane
CID 99717314
chloro(difluoro)methane;1,1,1-trichloro-2,2,2-trifluoroethane
CID 88770689
1,2-dichloro-1,1,2-trifluoroethane chloride
CID 158973247

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane (CID 175726700) is 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane is FC(Cl)C(Cl)(Cl)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane?
The InChIKey is KRLGVZRUZIAXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HCl3F8O/c6-1(9)2(7,8)17-5(15,16)3(10,11)4(12,13)14/h1H.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane?
1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane has a molecular weight of 335.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3-heptafluoro-3-(1,1,2-trichloro-2-fluoroethoxy)propane is sourced from PubChem (CID 175726700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).