1,1,2,2,3,4-hexafluoro-4-(1,1,1-trifluoropropan-2-yloxy)cyclopentane

C8H7F9O — CID 58114493

IUPAC1,1,2,2,3,4-hexafluoro-4-(1,1,1-trifluoropropan-2-yloxy)cyclopentane
SMILESCC(OC1(F)CC(F)(F)C(F)(F)C1F)C(F)(F)F
InChIInChI=1S/C8H7F9O/c1-3(8(15,16)17)18-5(10)2-6(11,12)7(13,14)4(5)9/h3-4H,2H2,1H3
InChIKeySMZNZWIGTVYFIP-UHFFFAOYSA-N
MW290.12 g/mol
LogP3.63
Rot. Bonds2

About 1,1,2,2,3,4-hexafluoro-4-(1,1,1-trifluoropropan-2-yloxy)cyclopentane

1,1,2,2,3,4-hexafluoro-4-(1,1,1-trifluoropropan-2-yloxy)cyclopentane (PubChem CID 58114493) has the molecular formula C8H7F9O and a molecular weight of 290.12 g/mol. Its IUPAC name is 1,1,2,2,3,4-hexafluoro-4-(1,1,1-trifluoropropan-2-yloxy)cyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,4-hexafluoro-4-(1,1,1-trifluoropropan-2-yloxy)cyclopentane
PubChem CID58114493
Molecular FormulaC8H7F9O
Molecular Weight290.12 g/mol
Exact Mass290.04
IUPAC Name1,1,2,2,3,4-hexafluoro-4-(1,1,1-trifluoropropan-2-yloxy)cyclopentane
SMILESCC(OC1(F)CC(F)(F)C(F)(F)C1F)C(F)(F)F
InChIInChI=1S/C8H7F9O/c1-3(8(15,16)17)18-5(10)2-6(11,12)7(13,14)4(5)9/h3-4H,2H2,1H3
InChIKeySMZNZWIGTVYFIP-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.12
LogP ≤ 53.63
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 1,1,2,2,3,4-hexafluoro-4-(1,1,1-trifluoropropan-2-yloxy)cyclopentane?
The IUPAC name of 1,1,2,2,3,4-hexafluoro-4-(1,1,1-trifluoropropan-2-yloxy)cyclopentane (CID 58114493) is 1,1,2,2,3,4-hexafluoro-4-(1,1,1-trifluoropropan-2-yloxy)cyclopentane.
What is the SMILES notation for 1,1,2,2,3,4-hexafluoro-4-(1,1,1-trifluoropropan-2-yloxy)cyclopentane?
The canonical SMILES for 1,1,2,2,3,4-hexafluoro-4-(1,1,1-trifluoropropan-2-yloxy)cyclopentane is CC(OC1(F)CC(F)(F)C(F)(F)C1F)C(F)(F)F.
What is the InChIKey of 1,1,2,2,3,4-hexafluoro-4-(1,1,1-trifluoropropan-2-yloxy)cyclopentane?
The InChIKey is SMZNZWIGTVYFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F9O/c1-3(8(15,16)17)18-5(10)2-6(11,12)7(13,14)4(5)9/h3-4H,2H2,1H3.
What are the key properties of 1,1,2,2,3,4-hexafluoro-4-(1,1,1-trifluoropropan-2-yloxy)cyclopentane?
1,1,2,2,3,4-hexafluoro-4-(1,1,1-trifluoropropan-2-yloxy)cyclopentane has a molecular weight of 290.12 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,4-hexafluoro-4-(1,1,1-trifluoropropan-2-yloxy)cyclopentane is sourced from PubChem (CID 58114493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).