1,2,2,3,3,4-hexafluorocyclobutan-1-ol

C4H2F6O — CID 91449587

IUPAC1,2,2,3,3,4-hexafluorocyclobutan-1-ol
SMILESOC1(F)C(F)C(F)(F)C1(F)F
InChIInChI=1S/C4H2F6O/c5-1-2(6,7)4(9,10)3(1,8)11/h1,11H
InChIKeyQUFOKOSTLVMBLT-UHFFFAOYSA-N
MW180.05 g/mol
LogP1.27
Rot. Bonds

About 1,2,2,3,3,4-hexafluorocyclobutan-1-ol

1,2,2,3,3,4-hexafluorocyclobutan-1-ol (PubChem CID 91449587) has the molecular formula C4H2F6O and a molecular weight of 180.05 g/mol. Its IUPAC name is 1,2,2,3,3,4-hexafluorocyclobutan-1-ol.

Molecular Properties

Compound Name1,2,2,3,3,4-hexafluorocyclobutan-1-ol
PubChem CID91449587
Molecular FormulaC4H2F6O
Molecular Weight180.05 g/mol
Exact Mass180.00
IUPAC Name1,2,2,3,3,4-hexafluorocyclobutan-1-ol
SMILESOC1(F)C(F)C(F)(F)C1(F)F
InChIInChI=1S/C4H2F6O/c5-1-2(6,7)4(9,10)3(1,8)11/h1,11H
InChIKeyQUFOKOSTLVMBLT-UHFFFAOYSA-N
XLogP1.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.05
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,2,2,3,3,4,5,5,6-decafluorocyclohexane
CID 23233742
2,2,4,4,6,6,8,8,9,10-decafluoroadamantane-1,3,5,7-tetrol
CID 89354579
2,2,4,4,6,6,8,8,9,9,10-undecafluoroadamantane-1,3,5,7-tetrol
CID 89354580
1,2,2,3,3,4-hexafluorocyclobutane-1-carbonyl chloride
CID 162536529
1,1,2,2,3,3-hexafluorocyclobutane;1,1,2,2,3,3,4,4,5-nonafluorocyclopentane
CID 160699918
1,1,2,2,3,3,4,5,5,6-decafluoro-4-methylcyclohexane
CID 58854942
1,1,2,2,3,3,4,4,5,6-decafluoro-5-methylcyclohexane
CID 154317052
(4R)-1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 167169999
1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 2778426
1,3,4,4,5,5,6,6-octafluorocyclohexene
CID 87447762
3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol
CID 150455539
1,2,2,3,3,4,5,5,6,6,7,7,8-tridecafluorobicyclo[2.2.2]octane
CID 12593514

Frequently Asked Questions

What is the IUPAC name of 1,2,2,3,3,4-hexafluorocyclobutan-1-ol?
The IUPAC name of 1,2,2,3,3,4-hexafluorocyclobutan-1-ol (CID 91449587) is 1,2,2,3,3,4-hexafluorocyclobutan-1-ol.
What is the SMILES notation for 1,2,2,3,3,4-hexafluorocyclobutan-1-ol?
The canonical SMILES for 1,2,2,3,3,4-hexafluorocyclobutan-1-ol is OC1(F)C(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,2,2,3,3,4-hexafluorocyclobutan-1-ol?
The InChIKey is QUFOKOSTLVMBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F6O/c5-1-2(6,7)4(9,10)3(1,8)11/h1,11H.
What are the key properties of 1,2,2,3,3,4-hexafluorocyclobutan-1-ol?
1,2,2,3,3,4-hexafluorocyclobutan-1-ol has a molecular weight of 180.05 g/mol, XLogP of 1.27, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2,3,3,4-hexafluorocyclobutan-1-ol is sourced from PubChem (CID 91449587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).