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

C10H11F11O2 — CID 129141697

IUPAC1,1,1,2,5,5,5-heptafluoro-2-methyl-4-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane
SMILESCC(F)(CC(OCOC(CF)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F11O2/c1-7(12,10(19,20)21)2-5(8(13,14)15)22-4-23-6(3-11)9(16,17)18/h5-6H,2-4H2,1H3
InChIKeyMKDCYFUGVHFVRL-UHFFFAOYSA-N
MW372.17 g/mol
LogP4.49
Rot. Bonds7

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

1,1,1,2,5,5,5-heptafluoro-2-methyl-4-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane (PubChem CID 129141697) has the molecular formula C10H11F11O2 and a molecular weight of 372.17 g/mol. Its IUPAC name is 1,1,1,2,5,5,5-heptafluoro-2-methyl-4-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane.

Molecular Properties

Compound Name1,1,1,2,5,5,5-heptafluoro-2-methyl-4-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane
PubChem CID129141697
Molecular FormulaC10H11F11O2
Molecular Weight372.17 g/mol
Exact Mass372.06
IUPAC Name1,1,1,2,5,5,5-heptafluoro-2-methyl-4-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane
SMILESCC(F)(CC(OCOC(CF)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H11F11O2/c1-7(12,10(19,20)21)2-5(8(13,14)15)22-4-23-6(3-11)9(16,17)18/h5-6H,2-4H2,1H3
InChIKeyMKDCYFUGVHFVRL-UHFFFAOYSA-N
XLogP4.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.17
LogP ≤ 54.49
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

2-(Ethoxymethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)butane
CID 20826490
2-(Ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane
CID 21362172
2-[Difluoro(1,1,2-trifluoropropoxy)methyl]-1,1,1,2,4,4,4-heptafluoro-3-(1,2,2,2-tetrafluoroethoxymethoxy)butane
CID 23529538
(6R)-5,5-difluoro-4,6-dimethyl-4-(trifluoromethyl)-1,3-dioxane
CID 57682170
2-(1-Ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane
CID 89298259
Fluoromethane;1,1,1,3,3,4-hexafluoro-2-(2,2,2-trifluoroethoxymethoxy)butane
CID 90978442
Fluoromethane;1,1,1,4,4,4-hexafluoro-2-(1,2,2,2-tetrafluoroethoxymethoxy)butane;1,1,1-trifluoropropane
CID 91128668
1,1,1,5,5,5-Hexafluoro-2-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane
CID 118052163
1,1,1,4,4,5-Hexafluoro-2-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane
CID 118052164
1,1,1-Trifluoro-2-(1,1,1-trifluorobutan-2-yloxymethoxy)butane
CID 122451296
1,1,1,4,4,5-Hexafluoro-2-(1,1,1-trifluorobutan-2-yloxymethoxy)pentane
CID 129141694
1,1,1,3,3,3-Hexafluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxymethoxy)propane;methane;hydrofluoride
CID 157147137

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,5,5,5-heptafluoro-2-methyl-4-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane?
The IUPAC name of 1,1,1,2,5,5,5-heptafluoro-2-methyl-4-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane (CID 129141697) is 1,1,1,2,5,5,5-heptafluoro-2-methyl-4-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane.
What is the SMILES notation for 1,1,1,2,5,5,5-heptafluoro-2-methyl-4-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane?
The canonical SMILES for 1,1,1,2,5,5,5-heptafluoro-2-methyl-4-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane is CC(F)(CC(OCOC(CF)C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,5,5,5-heptafluoro-2-methyl-4-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane?
The InChIKey is MKDCYFUGVHFVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F11O2/c1-7(12,10(19,20)21)2-5(8(13,14)15)22-4-23-6(3-11)9(16,17)18/h5-6H,2-4H2,1H3.
What are the key properties of 1,1,1,2,5,5,5-heptafluoro-2-methyl-4-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane?
1,1,1,2,5,5,5-heptafluoro-2-methyl-4-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane has a molecular weight of 372.17 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,5,5,5-heptafluoro-2-methyl-4-(1,1,1,3-tetrafluoropropan-2-yloxymethoxy)pentane is sourced from PubChem (CID 129141697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).