1,1,2,2,3,4-hexafluoro-4-propoxycyclopentane

C8H10F6O — CID 58114522

IUPAC1,1,2,2,3,4-hexafluoro-4-propoxycyclopentane
SMILESCCCOC1(F)CC(F)(F)C(F)(F)C1F
InChIInChI=1S/C8H10F6O/c1-2-3-15-6(10)4-7(11,12)8(13,14)5(6)9/h5H,2-4H2,1H3
InChIKeyFPAPGDQIKMCOBO-UHFFFAOYSA-N
MW236.15 g/mol
LogP3.09
Rot. Bonds3

About 1,1,2,2,3,4-hexafluoro-4-propoxycyclopentane

1,1,2,2,3,4-hexafluoro-4-propoxycyclopentane (PubChem CID 58114522) has the molecular formula C8H10F6O and a molecular weight of 236.15 g/mol. Its IUPAC name is 1,1,2,2,3,4-hexafluoro-4-propoxycyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,4-hexafluoro-4-propoxycyclopentane
PubChem CID58114522
Molecular FormulaC8H10F6O
Molecular Weight236.15 g/mol
Exact Mass236.06
IUPAC Name1,1,2,2,3,4-hexafluoro-4-propoxycyclopentane
SMILESCCCOC1(F)CC(F)(F)C(F)(F)C1F
InChIInChI=1S/C8H10F6O/c1-2-3-15-6(10)4-7(11,12)8(13,14)5(6)9/h5H,2-4H2,1H3
InChIKeyFPAPGDQIKMCOBO-UHFFFAOYSA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 53.09
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-propoxycyclopentane?
The IUPAC name of 1,1,2,2,3,4-hexafluoro-4-propoxycyclopentane (CID 58114522) is 1,1,2,2,3,4-hexafluoro-4-propoxycyclopentane.
What is the SMILES notation for 1,1,2,2,3,4-hexafluoro-4-propoxycyclopentane?
The canonical SMILES for 1,1,2,2,3,4-hexafluoro-4-propoxycyclopentane is CCCOC1(F)CC(F)(F)C(F)(F)C1F.
What is the InChIKey of 1,1,2,2,3,4-hexafluoro-4-propoxycyclopentane?
The InChIKey is FPAPGDQIKMCOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6O/c1-2-3-15-6(10)4-7(11,12)8(13,14)5(6)9/h5H,2-4H2,1H3.
What are the key properties of 1,1,2,2,3,4-hexafluoro-4-propoxycyclopentane?
1,1,2,2,3,4-hexafluoro-4-propoxycyclopentane has a molecular weight of 236.15 g/mol, XLogP of 3.09, 3 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-propoxycyclopentane is sourced from PubChem (CID 58114522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).