1,1,2,2,3,3,4,4-octafluoro-5,5-bis[(2-methylpropan-2-yl)oxy]cyclopentane

C13H18F8O2 — CID 21325419

IUPAC1,1,2,2,3,3,4,4-octafluoro-5,5-bis[(2-methylpropan-2-yl)oxy]cyclopentane
SMILESCC(C)(C)OC1(OC(C)(C)C)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H18F8O2/c1-7(2,3)22-13(23-8(4,5)6)11(18,19)9(14,15)10(16,17)12(13,20)21/h1-6H3
InChIKeyVNLVZLHOTGOYHW-UHFFFAOYSA-N
MW358.27 g/mol
LogP4.87
Rot. Bonds2

About 1,1,2,2,3,3,4,4-octafluoro-5,5-bis[(2-methylpropan-2-yl)oxy]cyclopentane

1,1,2,2,3,3,4,4-octafluoro-5,5-bis[(2-methylpropan-2-yl)oxy]cyclopentane (PubChem CID 21325419) has the molecular formula C13H18F8O2 and a molecular weight of 358.27 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4-octafluoro-5,5-bis[(2-methylpropan-2-yl)oxy]cyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4-octafluoro-5,5-bis[(2-methylpropan-2-yl)oxy]cyclopentane
PubChem CID21325419
Molecular FormulaC13H18F8O2
Molecular Weight358.27 g/mol
Exact Mass358.12
IUPAC Name1,1,2,2,3,3,4,4-octafluoro-5,5-bis[(2-methylpropan-2-yl)oxy]cyclopentane
SMILESCC(C)(C)OC1(OC(C)(C)C)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H18F8O2/c1-7(2,3)22-13(23-8(4,5)6)11(18,19)9(14,15)10(16,17)12(13,20)21/h1-6H3
InChIKeyVNLVZLHOTGOYHW-UHFFFAOYSA-N
XLogP4.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5,5-bis[(2-methylpropan-2-yl)oxy]cyclopentane?
The IUPAC name of 1,1,2,2,3,3,4,4-octafluoro-5,5-bis[(2-methylpropan-2-yl)oxy]cyclopentane (CID 21325419) is 1,1,2,2,3,3,4,4-octafluoro-5,5-bis[(2-methylpropan-2-yl)oxy]cyclopentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4-octafluoro-5,5-bis[(2-methylpropan-2-yl)oxy]cyclopentane?
The canonical SMILES for 1,1,2,2,3,3,4,4-octafluoro-5,5-bis[(2-methylpropan-2-yl)oxy]cyclopentane is CC(C)(C)OC1(OC(C)(C)C)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4-octafluoro-5,5-bis[(2-methylpropan-2-yl)oxy]cyclopentane?
The InChIKey is VNLVZLHOTGOYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F8O2/c1-7(2,3)22-13(23-8(4,5)6)11(18,19)9(14,15)10(16,17)12(13,20)21/h1-6H3.
What are the key properties of 1,1,2,2,3,3,4,4-octafluoro-5,5-bis[(2-methylpropan-2-yl)oxy]cyclopentane?
1,1,2,2,3,3,4,4-octafluoro-5,5-bis[(2-methylpropan-2-yl)oxy]cyclopentane has a molecular weight of 358.27 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4-octafluoro-5,5-bis[(2-methylpropan-2-yl)oxy]cyclopentane is sourced from PubChem (CID 21325419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).