1,3,3,4,4,5,5-heptafluoro-2-[(2-methylpropan-2-yl)oxy]cyclopentene

C9H9F7O — CID 10849342

IUPAC1,3,3,4,4,5,5-heptafluoro-2-[(2-methylpropan-2-yl)oxy]cyclopentene
SMILESCC(C)(C)OC1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F7O/c1-6(2,3)17-5-4(10)7(11,12)9(15,16)8(5,13)14/h1-3H3
InChIKeyKRWRDBDQODUQGH-UHFFFAOYSA-N
MW266.16 g/mol
LogP3.90
Rot. Bonds1

About 1,3,3,4,4,5,5-heptafluoro-2-[(2-methylpropan-2-yl)oxy]cyclopentene

1,3,3,4,4,5,5-heptafluoro-2-[(2-methylpropan-2-yl)oxy]cyclopentene (PubChem CID 10849342) has the molecular formula C9H9F7O and a molecular weight of 266.16 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-[(2-methylpropan-2-yl)oxy]cyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-[(2-methylpropan-2-yl)oxy]cyclopentene
PubChem CID10849342
Molecular FormulaC9H9F7O
Molecular Weight266.16 g/mol
Exact Mass266.05
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-[(2-methylpropan-2-yl)oxy]cyclopentene
SMILESCC(C)(C)OC1=C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H9F7O/c1-6(2,3)17-5-4(10)7(11,12)9(15,16)8(5,13)14/h1-3H3
InChIKeyKRWRDBDQODUQGH-UHFFFAOYSA-N
XLogP3.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.16
LogP ≤ 53.90
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 1,3,3,4,4,5,5-heptafluoro-2-[(2-methylpropan-2-yl)oxy]cyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-[(2-methylpropan-2-yl)oxy]cyclopentene (CID 10849342) is 1,3,3,4,4,5,5-heptafluoro-2-[(2-methylpropan-2-yl)oxy]cyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-[(2-methylpropan-2-yl)oxy]cyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-[(2-methylpropan-2-yl)oxy]cyclopentene is CC(C)(C)OC1=C(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4,5,5-heptafluoro-2-[(2-methylpropan-2-yl)oxy]cyclopentene?
The InChIKey is KRWRDBDQODUQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F7O/c1-6(2,3)17-5-4(10)7(11,12)9(15,16)8(5,13)14/h1-3H3.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-[(2-methylpropan-2-yl)oxy]cyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-[(2-methylpropan-2-yl)oxy]cyclopentene has a molecular weight of 266.16 g/mol, XLogP of 3.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,5,5-heptafluoro-2-[(2-methylpropan-2-yl)oxy]cyclopentene is sourced from PubChem (CID 10849342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).