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

C9H9F9O — CID 21325422

IUPAC1,1,2,2,3,3,4,4,5-nonafluoro-5-[(2-methylpropan-2-yl)oxy]cyclopentane
SMILESCC(C)(C)OC1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F9O/c1-4(2,3)19-9(18)7(14,15)5(10,11)6(12,13)8(9,16)17/h1-3H3
InChIKeySIZIASSDPUMVQA-UHFFFAOYSA-N
MW304.15 g/mol
LogP4.02
Rot. Bonds1

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

1,1,2,2,3,3,4,4,5-nonafluoro-5-[(2-methylpropan-2-yl)oxy]cyclopentane (PubChem CID 21325422) has the molecular formula C9H9F9O and a molecular weight of 304.15 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5-nonafluoro-5-[(2-methylpropan-2-yl)oxy]cyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,4,5-nonafluoro-5-[(2-methylpropan-2-yl)oxy]cyclopentane
PubChem CID21325422
Molecular FormulaC9H9F9O
Molecular Weight304.15 g/mol
Exact Mass304.05
IUPAC Name1,1,2,2,3,3,4,4,5-nonafluoro-5-[(2-methylpropan-2-yl)oxy]cyclopentane
SMILESCC(C)(C)OC1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F9O/c1-4(2,3)19-9(18)7(14,15)5(10,11)6(12,13)8(9,16)17/h1-3H3
InChIKeySIZIASSDPUMVQA-UHFFFAOYSA-N
XLogP4.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1,2,2,3,3,4,4,5-nonafluoro-5-[(2-methylpropan-2-yl)oxy]cyclopentane?
The IUPAC name of 1,1,2,2,3,3,4,4,5-nonafluoro-5-[(2-methylpropan-2-yl)oxy]cyclopentane (CID 21325422) is 1,1,2,2,3,3,4,4,5-nonafluoro-5-[(2-methylpropan-2-yl)oxy]cyclopentane.
What is the SMILES notation for 1,1,2,2,3,3,4,4,5-nonafluoro-5-[(2-methylpropan-2-yl)oxy]cyclopentane?
The canonical SMILES for 1,1,2,2,3,3,4,4,5-nonafluoro-5-[(2-methylpropan-2-yl)oxy]cyclopentane is CC(C)(C)OC1(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,4,5-nonafluoro-5-[(2-methylpropan-2-yl)oxy]cyclopentane?
The InChIKey is SIZIASSDPUMVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9O/c1-4(2,3)19-9(18)7(14,15)5(10,11)6(12,13)8(9,16)17/h1-3H3.
What are the key properties of 1,1,2,2,3,3,4,4,5-nonafluoro-5-[(2-methylpropan-2-yl)oxy]cyclopentane?
1,1,2,2,3,3,4,4,5-nonafluoro-5-[(2-methylpropan-2-yl)oxy]cyclopentane has a molecular weight of 304.15 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,4,5-nonafluoro-5-[(2-methylpropan-2-yl)oxy]cyclopentane is sourced from PubChem (CID 21325422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).