1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-4-methylpentane

C12H9F17O2 — CID 154600994

IUPAC1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-4-methylpentane
SMILESCC(C)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H9F17O2/c1-4(2)3-5(13,14)9(22,23)30-11(26,27)7(17,18)12(28,29)31-10(24,25)6(15,16)8(19,20)21/h4H,3H2,1-2H3
InChIKeyFEMIGPMYUCJVFC-UHFFFAOYSA-N
MW508.17 g/mol
LogP6.91
Rot. Bonds10

About 1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-4-methylpentane

1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-4-methylpentane (PubChem CID 154600994) has the molecular formula C12H9F17O2 and a molecular weight of 508.17 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-4-methylpentane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-4-methylpentane
PubChem CID154600994
Molecular FormulaC12H9F17O2
Molecular Weight508.17 g/mol
Exact Mass508.03
IUPAC Name1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-4-methylpentane
SMILESCC(C)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H9F17O2/c1-4(2)3-5(13,14)9(22,23)30-11(26,27)7(17,18)12(28,29)31-10(24,25)6(15,16)8(19,20)21/h4H,3H2,1-2H3
InChIKeyFEMIGPMYUCJVFC-UHFFFAOYSA-N
XLogP6.91
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.17
LogP ≤ 56.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-4-methylpentane?
The IUPAC name of 1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-4-methylpentane (CID 154600994) is 1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-4-methylpentane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-4-methylpentane?
The canonical SMILES for 1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-4-methylpentane is CC(C)CC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-4-methylpentane?
The InChIKey is FEMIGPMYUCJVFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F17O2/c1-4(2)3-5(13,14)9(22,23)30-11(26,27)7(17,18)12(28,29)31-10(24,25)6(15,16)8(19,20)21/h4H,3H2,1-2H3.
What are the key properties of 1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-4-methylpentane?
1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-4-methylpentane has a molecular weight of 508.17 g/mol, XLogP of 6.91, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2-tetrafluoro-1-[1,1,2,2,3,3-hexafluoro-3-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-4-methylpentane is sourced from PubChem (CID 154600994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).