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

C6H6F8O — CID 23529534

IUPAC1,1,1,2-tetrafluoro-2-(2,3,3,3-tetrafluoropropoxy)propane
SMILESCC(F)(OCC(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F8O/c1-4(8,6(12,13)14)15-2-3(7)5(9,10)11/h3H,2H2,1H3
InChIKeyGULIMQBTABYENS-UHFFFAOYSA-N
MW246.10 g/mol
LogP3.15
Rot. Bonds3

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

1,1,1,2-tetrafluoro-2-(2,3,3,3-tetrafluoropropoxy)propane (PubChem CID 23529534) has the molecular formula C6H6F8O and a molecular weight of 246.10 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-2-(2,3,3,3-tetrafluoropropoxy)propane.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-2-(2,3,3,3-tetrafluoropropoxy)propane
PubChem CID23529534
Molecular FormulaC6H6F8O
Molecular Weight246.10 g/mol
Exact Mass246.03
IUPAC Name1,1,1,2-tetrafluoro-2-(2,3,3,3-tetrafluoropropoxy)propane
SMILESCC(F)(OCC(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H6F8O/c1-4(8,6(12,13)14)15-2-3(7)5(9,10)11/h3H,2H2,1H3
InChIKeyGULIMQBTABYENS-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-2-(2,3,3,3-tetrafluoropropoxy)propane?
The IUPAC name of 1,1,1,2-tetrafluoro-2-(2,3,3,3-tetrafluoropropoxy)propane (CID 23529534) is 1,1,1,2-tetrafluoro-2-(2,3,3,3-tetrafluoropropoxy)propane.
What is the SMILES notation for 1,1,1,2-tetrafluoro-2-(2,3,3,3-tetrafluoropropoxy)propane?
The canonical SMILES for 1,1,1,2-tetrafluoro-2-(2,3,3,3-tetrafluoropropoxy)propane is CC(F)(OCC(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2-tetrafluoro-2-(2,3,3,3-tetrafluoropropoxy)propane?
The InChIKey is GULIMQBTABYENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O/c1-4(8,6(12,13)14)15-2-3(7)5(9,10)11/h3H,2H2,1H3.
What are the key properties of 1,1,1,2-tetrafluoro-2-(2,3,3,3-tetrafluoropropoxy)propane?
1,1,1,2-tetrafluoro-2-(2,3,3,3-tetrafluoropropoxy)propane has a molecular weight of 246.10 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-2-(2,3,3,3-tetrafluoropropoxy)propane is sourced from PubChem (CID 23529534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).