1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane

C6H4F10O — CID 2782285

IUPAC1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane
SMILESFC(F)C(F)(F)COC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C6H4F10O/c7-2(5(12,13)14)6(15,16)17-1-4(10,11)3(8)9/h2-3H,1H2
InChIKeyDOESGSGKEZIPFW-UHFFFAOYSA-N
MW282.08 g/mol
LogP3.40
Rot. Bonds5

About 1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane

1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane (PubChem CID 2782285) has the molecular formula C6H4F10O and a molecular weight of 282.08 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane
PubChem CID2782285
Molecular FormulaC6H4F10O
Molecular Weight282.08 g/mol
Exact Mass282.01
IUPAC Name1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane
SMILESFC(F)C(F)(F)COC(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C6H4F10O/c7-2(5(12,13)14)6(15,16)17-1-4(10,11)3(8)9/h2-3H,1H2
InChIKeyDOESGSGKEZIPFW-UHFFFAOYSA-N
XLogP3.40
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.08
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane?
The IUPAC name of 1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane (CID 2782285) is 1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane?
The canonical SMILES for 1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane is FC(F)C(F)(F)COC(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane?
The InChIKey is DOESGSGKEZIPFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F10O/c7-2(5(12,13)14)6(15,16)17-1-4(10,11)3(8)9/h2-3H,1H2.
What are the key properties of 1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane?
1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane has a molecular weight of 282.08 g/mol, XLogP of 3.40, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoro-3-(2,2,3,3-tetrafluoropropoxy)propane is sourced from PubChem (CID 2782285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).