1,1,2,2,3,3,4-heptafluoro-4-methoxycyclobutane

C5H3F7O — CID 23067823

IUPAC1,1,2,2,3,3,4-heptafluoro-4-methoxycyclobutane
SMILESCOC1(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H3F7O/c1-13-5(12)3(8,9)2(6,7)4(5,10)11/h1H3
InChIKeyNGDDEWAEUHYUGG-UHFFFAOYSA-N
MW212.06 g/mol
LogP2.22
Rot. Bonds1

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

1,1,2,2,3,3,4-heptafluoro-4-methoxycyclobutane (PubChem CID 23067823) has the molecular formula C5H3F7O and a molecular weight of 212.06 g/mol. Its IUPAC name is 1,1,2,2,3,3,4-heptafluoro-4-methoxycyclobutane.

Molecular Properties

Compound Name1,1,2,2,3,3,4-heptafluoro-4-methoxycyclobutane
PubChem CID23067823
Molecular FormulaC5H3F7O
Molecular Weight212.06 g/mol
Exact Mass212.01
IUPAC Name1,1,2,2,3,3,4-heptafluoro-4-methoxycyclobutane
SMILESCOC1(F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H3F7O/c1-13-5(12)3(8,9)2(6,7)4(5,10)11/h1H3
InChIKeyNGDDEWAEUHYUGG-UHFFFAOYSA-N
XLogP2.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 52.22
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-heptafluoro-4-methoxycyclobutane?
The IUPAC name of 1,1,2,2,3,3,4-heptafluoro-4-methoxycyclobutane (CID 23067823) is 1,1,2,2,3,3,4-heptafluoro-4-methoxycyclobutane.
What is the SMILES notation for 1,1,2,2,3,3,4-heptafluoro-4-methoxycyclobutane?
The canonical SMILES for 1,1,2,2,3,3,4-heptafluoro-4-methoxycyclobutane is COC1(F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,3,4-heptafluoro-4-methoxycyclobutane?
The InChIKey is NGDDEWAEUHYUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O/c1-13-5(12)3(8,9)2(6,7)4(5,10)11/h1H3.
What are the key properties of 1,1,2,2,3,3,4-heptafluoro-4-methoxycyclobutane?
1,1,2,2,3,3,4-heptafluoro-4-methoxycyclobutane has a molecular weight of 212.06 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3,3,4-heptafluoro-4-methoxycyclobutane is sourced from PubChem (CID 23067823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).