1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)propane

C6HF13O — CID 12604749

IUPAC1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)propane
SMILESFC(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF13O/c7-1(8)2(9,4(12,13)14)20-6(18,19)3(10,11)5(15,16)17/h1H
InChIKeyCMAPDDOMTKEDEA-UHFFFAOYSA-N
MW336.05 g/mol
LogP4.29
Rot. Bonds4

About 1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)propane

1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)propane (PubChem CID 12604749) has the molecular formula C6HF13O and a molecular weight of 336.05 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)propane.

Molecular Properties

Compound Name1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)propane
PubChem CID12604749
Molecular FormulaC6HF13O
Molecular Weight336.05 g/mol
Exact Mass335.98
IUPAC Name1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)propane
SMILESFC(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6HF13O/c7-1(8)2(9,4(12,13)14)20-6(18,19)3(10,11)5(15,16)17/h1H
InChIKeyCMAPDDOMTKEDEA-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.05
LogP ≤ 54.29
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 1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)propane?
The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)propane (CID 12604749) is 1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)propane.
What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)propane?
The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)propane is FC(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)propane?
The InChIKey is CMAPDDOMTKEDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF13O/c7-1(8)2(9,4(12,13)14)20-6(18,19)3(10,11)5(15,16)17/h1H.
What are the key properties of 1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)propane?
1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)propane has a molecular weight of 336.05 g/mol, XLogP of 4.29, 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-(1,1,1,2,3,3-hexafluoropropan-2-yloxy)propane is sourced from PubChem (CID 12604749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).