1,1,2,2,3-pentafluoro-4-methoxycyclobutane

C5H5F5O — CID 54177984

IUPAC1,1,2,2,3-pentafluoro-4-methoxycyclobutane
SMILESCOC1C(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H5F5O/c1-11-3-2(6)4(7,8)5(3,9)10/h2-3H,1H3
InChIKeyOZUAGEZMQKEXEV-UHFFFAOYSA-N
MW176.08 g/mol
LogP1.62
Rot. Bonds1

About 1,1,2,2,3-pentafluoro-4-methoxycyclobutane

1,1,2,2,3-pentafluoro-4-methoxycyclobutane (PubChem CID 54177984) has the molecular formula C5H5F5O and a molecular weight of 176.08 g/mol. Its IUPAC name is 1,1,2,2,3-pentafluoro-4-methoxycyclobutane.

Molecular Properties

Compound Name1,1,2,2,3-pentafluoro-4-methoxycyclobutane
PubChem CID54177984
Molecular FormulaC5H5F5O
Molecular Weight176.08 g/mol
Exact Mass176.03
IUPAC Name1,1,2,2,3-pentafluoro-4-methoxycyclobutane
SMILESCOC1C(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H5F5O/c1-11-3-2(6)4(7,8)5(3,9)10/h2-3H,1H3
InChIKeyOZUAGEZMQKEXEV-UHFFFAOYSA-N
XLogP1.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.08
LogP ≤ 51.62
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-pentafluoro-4-methoxycyclobutane?
The IUPAC name of 1,1,2,2,3-pentafluoro-4-methoxycyclobutane (CID 54177984) is 1,1,2,2,3-pentafluoro-4-methoxycyclobutane.
What is the SMILES notation for 1,1,2,2,3-pentafluoro-4-methoxycyclobutane?
The canonical SMILES for 1,1,2,2,3-pentafluoro-4-methoxycyclobutane is COC1C(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3-pentafluoro-4-methoxycyclobutane?
The InChIKey is OZUAGEZMQKEXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F5O/c1-11-3-2(6)4(7,8)5(3,9)10/h2-3H,1H3.
What are the key properties of 1,1,2,2,3-pentafluoro-4-methoxycyclobutane?
1,1,2,2,3-pentafluoro-4-methoxycyclobutane has a molecular weight of 176.08 g/mol, XLogP of 1.62, 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-pentafluoro-4-methoxycyclobutane is sourced from PubChem (CID 54177984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).