1,1,2,2,3,3-hexafluoro-4-methoxycyclopentane

C6H6F6O — CID 121234851

IUPAC1,1,2,2,3,3-hexafluoro-4-methoxycyclopentane
SMILESCOC1CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H6F6O/c1-13-3-2-4(7,8)6(11,12)5(3,9)10/h3H,2H2,1H3
InChIKeyLTRGSJPAXQOXSA-UHFFFAOYSA-N
MW208.10 g/mol
LogP2.31
Rot. Bonds1

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

1,1,2,2,3,3-hexafluoro-4-methoxycyclopentane (PubChem CID 121234851) has the molecular formula C6H6F6O and a molecular weight of 208.10 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-4-methoxycyclopentane.

Molecular Properties

Compound Name1,1,2,2,3,3-hexafluoro-4-methoxycyclopentane
PubChem CID121234851
Molecular FormulaC6H6F6O
Molecular Weight208.10 g/mol
Exact Mass208.03
IUPAC Name1,1,2,2,3,3-hexafluoro-4-methoxycyclopentane
SMILESCOC1CC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H6F6O/c1-13-3-2-4(7,8)6(11,12)5(3,9)10/h3H,2H2,1H3
InChIKeyLTRGSJPAXQOXSA-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.10
LogP ≤ 52.31
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-hexafluoro-4-methoxycyclopentane?
The IUPAC name of 1,1,2,2,3,3-hexafluoro-4-methoxycyclopentane (CID 121234851) is 1,1,2,2,3,3-hexafluoro-4-methoxycyclopentane.
What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-4-methoxycyclopentane?
The canonical SMILES for 1,1,2,2,3,3-hexafluoro-4-methoxycyclopentane is COC1CC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3-hexafluoro-4-methoxycyclopentane?
The InChIKey is LTRGSJPAXQOXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F6O/c1-13-3-2-4(7,8)6(11,12)5(3,9)10/h3H,2H2,1H3.
What are the key properties of 1,1,2,2,3,3-hexafluoro-4-methoxycyclopentane?
1,1,2,2,3,3-hexafluoro-4-methoxycyclopentane has a molecular weight of 208.10 g/mol, XLogP of 2.31, 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-hexafluoro-4-methoxycyclopentane is sourced from PubChem (CID 121234851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).