1,1,2,2-tetrafluoro-3-propan-2-yloxycyclobutane

C7H10F4O — CID 19911062

IUPAC1,1,2,2-tetrafluoro-3-propan-2-yloxycyclobutane
SMILESCC(C)OC1CC(F)(F)C1(F)F
InChIInChI=1S/C7H10F4O/c1-4(2)12-5-3-6(8,9)7(5,10)11/h4-5H,3H2,1-2H3
InChIKeyRPHOLFHSDRQCKX-UHFFFAOYSA-N
MW186.15 g/mol
LogP2.45
Rot. Bonds2

About 1,1,2,2-tetrafluoro-3-propan-2-yloxycyclobutane

1,1,2,2-tetrafluoro-3-propan-2-yloxycyclobutane (PubChem CID 19911062) has the molecular formula C7H10F4O and a molecular weight of 186.15 g/mol. Its IUPAC name is 1,1,2,2-tetrafluoro-3-propan-2-yloxycyclobutane.

Molecular Properties

Compound Name1,1,2,2-tetrafluoro-3-propan-2-yloxycyclobutane
PubChem CID19911062
Molecular FormulaC7H10F4O
Molecular Weight186.15 g/mol
Exact Mass186.07
IUPAC Name1,1,2,2-tetrafluoro-3-propan-2-yloxycyclobutane
SMILESCC(C)OC1CC(F)(F)C1(F)F
InChIInChI=1S/C7H10F4O/c1-4(2)12-5-3-6(8,9)7(5,10)11/h4-5H,3H2,1-2H3
InChIKeyRPHOLFHSDRQCKX-UHFFFAOYSA-N
XLogP2.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 52.45
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-tetrafluoro-3-propan-2-yloxycyclobutane?
The IUPAC name of 1,1,2,2-tetrafluoro-3-propan-2-yloxycyclobutane (CID 19911062) is 1,1,2,2-tetrafluoro-3-propan-2-yloxycyclobutane.
What is the SMILES notation for 1,1,2,2-tetrafluoro-3-propan-2-yloxycyclobutane?
The canonical SMILES for 1,1,2,2-tetrafluoro-3-propan-2-yloxycyclobutane is CC(C)OC1CC(F)(F)C1(F)F.
What is the InChIKey of 1,1,2,2-tetrafluoro-3-propan-2-yloxycyclobutane?
The InChIKey is RPHOLFHSDRQCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F4O/c1-4(2)12-5-3-6(8,9)7(5,10)11/h4-5H,3H2,1-2H3.
What are the key properties of 1,1,2,2-tetrafluoro-3-propan-2-yloxycyclobutane?
1,1,2,2-tetrafluoro-3-propan-2-yloxycyclobutane has a molecular weight of 186.15 g/mol, XLogP of 2.45, 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-tetrafluoro-3-propan-2-yloxycyclobutane is sourced from PubChem (CID 19911062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).