1,1,2,2,3,3,4,5-octafluoro-4-(2,2,3,3-tetrafluorobutoxy)cyclopentane

C9H6F12O — CID 58114540

IUPAC1,1,2,2,3,3,4,5-octafluoro-4-(2,2,3,3-tetrafluorobutoxy)cyclopentane
SMILESCC(F)(F)C(F)(F)COC1(F)C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H6F12O/c1-4(11,12)5(13,14)2-22-7(17)3(10)6(15,16)8(18,19)9(7,20)21/h3H,2H2,1H3
InChIKeyXXOWSOTVYQWFLR-UHFFFAOYSA-N
MW358.12 g/mol
LogP4.22
Rot. Bonds4

About 1,1,2,2,3,3,4,5-octafluoro-4-(2,2,3,3-tetrafluorobutoxy)cyclopentane

1,1,2,2,3,3,4,5-octafluoro-4-(2,2,3,3-tetrafluorobutoxy)cyclopentane (PubChem CID 58114540) has the molecular formula C9H6F12O and a molecular weight of 358.12 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,5-octafluoro-4-(2,2,3,3-tetrafluorobutoxy)cyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3,4,5-octafluoro-4-(2,2,3,3-tetrafluorobutoxy)cyclopentane
PubChem CID58114540
Molecular FormulaC9H6F12O
Molecular Weight358.12 g/mol
Exact Mass358.02
IUPAC Name1,1,2,2,3,3,4,5-octafluoro-4-(2,2,3,3-tetrafluorobutoxy)cyclopentane
SMILESCC(F)(F)C(F)(F)COC1(F)C(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H6F12O/c1-4(11,12)5(13,14)2-22-7(17)3(10)6(15,16)8(18,19)9(7,20)21/h3H,2H2,1H3
InChIKeyXXOWSOTVYQWFLR-UHFFFAOYSA-N
XLogP4.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.12
LogP ≤ 54.22
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 1,1,2,2,3,3,4,5-octafluoro-4-(2,2,3,3-tetrafluorobutoxy)cyclopentane?
The IUPAC name of 1,1,2,2,3,3,4,5-octafluoro-4-(2,2,3,3-tetrafluorobutoxy)cyclopentane (CID 58114540) is 1,1,2,2,3,3,4,5-octafluoro-4-(2,2,3,3-tetrafluorobutoxy)cyclopentane.
What is the SMILES notation for 1,1,2,2,3,3,4,5-octafluoro-4-(2,2,3,3-tetrafluorobutoxy)cyclopentane?
The canonical SMILES for 1,1,2,2,3,3,4,5-octafluoro-4-(2,2,3,3-tetrafluorobutoxy)cyclopentane is CC(F)(F)C(F)(F)COC1(F)C(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4,5-octafluoro-4-(2,2,3,3-tetrafluorobutoxy)cyclopentane?
The InChIKey is XXOWSOTVYQWFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F12O/c1-4(11,12)5(13,14)2-22-7(17)3(10)6(15,16)8(18,19)9(7,20)21/h3H,2H2,1H3.
What are the key properties of 1,1,2,2,3,3,4,5-octafluoro-4-(2,2,3,3-tetrafluorobutoxy)cyclopentane?
1,1,2,2,3,3,4,5-octafluoro-4-(2,2,3,3-tetrafluorobutoxy)cyclopentane has a molecular weight of 358.12 g/mol, XLogP of 4.22, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4,5-octafluoro-4-(2,2,3,3-tetrafluorobutoxy)cyclopentane is sourced from PubChem (CID 58114540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).