1,1,1,4,4,5-hexafluoro-2-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane

C9H10F10O2 — CID 118052164

IUPAC1,1,1,4,4,5-hexafluoro-2-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane
SMILESFCC(OCOC(CC(F)(F)CF)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F10O2/c10-2-6(9(17,18)19)21-4-20-5(8(14,15)16)1-7(12,13)3-11/h5-6H,1-4H2
InChIKeyNOPYZBGKRCRGPA-UHFFFAOYSA-N
MW340.16 g/mol
LogP3.80
Rot. Bonds8

About 1,1,1,4,4,5-hexafluoro-2-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane

1,1,1,4,4,5-hexafluoro-2-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane (PubChem CID 118052164) has the molecular formula C9H10F10O2 and a molecular weight of 340.16 g/mol. Its IUPAC name is 1,1,1,4,4,5-hexafluoro-2-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane.

Molecular Properties

Compound Name1,1,1,4,4,5-hexafluoro-2-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane
PubChem CID118052164
Molecular FormulaC9H10F10O2
Molecular Weight340.16 g/mol
Exact Mass340.05
IUPAC Name1,1,1,4,4,5-hexafluoro-2-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane
SMILESFCC(OCOC(CC(F)(F)CF)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C9H10F10O2/c10-2-6(9(17,18)19)21-4-20-5(8(14,15)16)1-7(12,13)3-11/h5-6H,1-4H2
InChIKeyNOPYZBGKRCRGPA-UHFFFAOYSA-N
XLogP3.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.16
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 21361121
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Frequently Asked Questions

What is the IUPAC name of 1,1,1,4,4,5-hexafluoro-2-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane?
The IUPAC name of 1,1,1,4,4,5-hexafluoro-2-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane (CID 118052164) is 1,1,1,4,4,5-hexafluoro-2-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane.
What is the SMILES notation for 1,1,1,4,4,5-hexafluoro-2-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane?
The canonical SMILES for 1,1,1,4,4,5-hexafluoro-2-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane is FCC(OCOC(CC(F)(F)CF)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,4,4,5-hexafluoro-2-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane?
The InChIKey is NOPYZBGKRCRGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F10O2/c10-2-6(9(17,18)19)21-4-20-5(8(14,15)16)1-7(12,13)3-11/h5-6H,1-4H2.
What are the key properties of 1,1,1,4,4,5-hexafluoro-2-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane?
1,1,1,4,4,5-hexafluoro-2-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane has a molecular weight of 340.16 g/mol, XLogP of 3.80, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,4,4,5-hexafluoro-2-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane is sourced from PubChem (CID 118052164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).