1,1,2,2,3,4-hexafluoro-3-propan-2-yloxycyclobutane

C7H8F6O — CID 58114527

IUPAC1,1,2,2,3,4-hexafluoro-3-propan-2-yloxycyclobutane
SMILESCC(C)OC1(F)C(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H8F6O/c1-3(2)14-6(11)4(8)5(9,10)7(6,12)13/h3-4H,1-2H3
InChIKeyICURIXIKRDCRJC-UHFFFAOYSA-N
MW222.13 g/mol
LogP2.70
Rot. Bonds2

About 1,1,2,2,3,4-hexafluoro-3-propan-2-yloxycyclobutane

1,1,2,2,3,4-hexafluoro-3-propan-2-yloxycyclobutane (PubChem CID 58114527) has the molecular formula C7H8F6O and a molecular weight of 222.13 g/mol. Its IUPAC name is 1,1,2,2,3,4-hexafluoro-3-propan-2-yloxycyclobutane.

Molecular Properties

Compound Name1,1,2,2,3,4-hexafluoro-3-propan-2-yloxycyclobutane
PubChem CID58114527
Molecular FormulaC7H8F6O
Molecular Weight222.13 g/mol
Exact Mass222.05
IUPAC Name1,1,2,2,3,4-hexafluoro-3-propan-2-yloxycyclobutane
SMILESCC(C)OC1(F)C(F)C(F)(F)C1(F)F
InChIInChI=1S/C7H8F6O/c1-3(2)14-6(11)4(8)5(9,10)7(6,12)13/h3-4H,1-2H3
InChIKeyICURIXIKRDCRJC-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 52.70
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-3-propan-2-yloxycyclobutane?
The IUPAC name of 1,1,2,2,3,4-hexafluoro-3-propan-2-yloxycyclobutane (CID 58114527) is 1,1,2,2,3,4-hexafluoro-3-propan-2-yloxycyclobutane.
What is the SMILES notation for 1,1,2,2,3,4-hexafluoro-3-propan-2-yloxycyclobutane?
The canonical SMILES for 1,1,2,2,3,4-hexafluoro-3-propan-2-yloxycyclobutane is CC(C)OC1(F)C(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2,3,4-hexafluoro-3-propan-2-yloxycyclobutane?
The InChIKey is ICURIXIKRDCRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6O/c1-3(2)14-6(11)4(8)5(9,10)7(6,12)13/h3-4H,1-2H3.
What are the key properties of 1,1,2,2,3,4-hexafluoro-3-propan-2-yloxycyclobutane?
1,1,2,2,3,4-hexafluoro-3-propan-2-yloxycyclobutane has a molecular weight of 222.13 g/mol, XLogP of 2.70, 2 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-3-propan-2-yloxycyclobutane is sourced from PubChem (CID 58114527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).