1,1,2,3,3-pentafluoro-2-methyl-1-[1,1,2-trifluoro-1-[fluoro(methoxy)methoxy]propan-2-yl]oxybutane

C10H13F9O3 — CID 54008099

IUPAC1,1,2,3,3-pentafluoro-2-methyl-1-[1,1,2-trifluoro-1-[fluoro(methoxy)methoxy]propan-2-yl]oxybutane
SMILESCOC(F)OC(F)(F)C(C)(F)OC(F)(F)C(C)(F)C(C)(F)F
InChIInChI=1S/C10H13F9O3/c1-6(12,7(2,13)14)9(16,17)22-8(3,15)10(18,19)21-5(11)20-4/h5H,1-4H3
InChIKeyKQIBLQOPNDDAHR-UHFFFAOYSA-N
MW352.19 g/mol
LogP4.17
Rot. Bonds8

About 1,1,2,3,3-pentafluoro-2-methyl-1-[1,1,2-trifluoro-1-[fluoro(methoxy)methoxy]propan-2-yl]oxybutane

1,1,2,3,3-pentafluoro-2-methyl-1-[1,1,2-trifluoro-1-[fluoro(methoxy)methoxy]propan-2-yl]oxybutane (PubChem CID 54008099) has the molecular formula C10H13F9O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 1,1,2,3,3-pentafluoro-2-methyl-1-[1,1,2-trifluoro-1-[fluoro(methoxy)methoxy]propan-2-yl]oxybutane.

Molecular Properties

Compound Name1,1,2,3,3-pentafluoro-2-methyl-1-[1,1,2-trifluoro-1-[fluoro(methoxy)methoxy]propan-2-yl]oxybutane
PubChem CID54008099
Molecular FormulaC10H13F9O3
Molecular Weight352.19 g/mol
Exact Mass352.07
IUPAC Name1,1,2,3,3-pentafluoro-2-methyl-1-[1,1,2-trifluoro-1-[fluoro(methoxy)methoxy]propan-2-yl]oxybutane
SMILESCOC(F)OC(F)(F)C(C)(F)OC(F)(F)C(C)(F)C(C)(F)F
InChIInChI=1S/C10H13F9O3/c1-6(12,7(2,13)14)9(16,17)22-8(3,15)10(18,19)21-5(11)20-4/h5H,1-4H3
InChIKeyKQIBLQOPNDDAHR-UHFFFAOYSA-N
XLogP4.17
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,3-pentafluoro-2-methyl-1-[1,1,2-trifluoro-1-[fluoro(methoxy)methoxy]propan-2-yl]oxybutane?
The IUPAC name of 1,1,2,3,3-pentafluoro-2-methyl-1-[1,1,2-trifluoro-1-[fluoro(methoxy)methoxy]propan-2-yl]oxybutane (CID 54008099) is 1,1,2,3,3-pentafluoro-2-methyl-1-[1,1,2-trifluoro-1-[fluoro(methoxy)methoxy]propan-2-yl]oxybutane.
What is the SMILES notation for 1,1,2,3,3-pentafluoro-2-methyl-1-[1,1,2-trifluoro-1-[fluoro(methoxy)methoxy]propan-2-yl]oxybutane?
The canonical SMILES for 1,1,2,3,3-pentafluoro-2-methyl-1-[1,1,2-trifluoro-1-[fluoro(methoxy)methoxy]propan-2-yl]oxybutane is COC(F)OC(F)(F)C(C)(F)OC(F)(F)C(C)(F)C(C)(F)F.
What is the InChIKey of 1,1,2,3,3-pentafluoro-2-methyl-1-[1,1,2-trifluoro-1-[fluoro(methoxy)methoxy]propan-2-yl]oxybutane?
The InChIKey is KQIBLQOPNDDAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F9O3/c1-6(12,7(2,13)14)9(16,17)22-8(3,15)10(18,19)21-5(11)20-4/h5H,1-4H3.
What are the key properties of 1,1,2,3,3-pentafluoro-2-methyl-1-[1,1,2-trifluoro-1-[fluoro(methoxy)methoxy]propan-2-yl]oxybutane?
1,1,2,3,3-pentafluoro-2-methyl-1-[1,1,2-trifluoro-1-[fluoro(methoxy)methoxy]propan-2-yl]oxybutane has a molecular weight of 352.19 g/mol, XLogP of 4.17, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,3-pentafluoro-2-methyl-1-[1,1,2-trifluoro-1-[fluoro(methoxy)methoxy]propan-2-yl]oxybutane is sourced from PubChem (CID 54008099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).