3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol

C5H4F6O2 — CID 150455539

IUPAC3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol
SMILESOC1C(O)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H4F6O2/c6-3(7)1(12)2(13)4(8,9)5(3,10)11/h1-2,12-13H
InChIKeyHORZSSSFLXYYCG-UHFFFAOYSA-N
MW210.07 g/mol
LogP0.63
Rot. Bonds

About 3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol

3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol (PubChem CID 150455539) has the molecular formula C5H4F6O2 and a molecular weight of 210.07 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol
PubChem CID150455539
Molecular FormulaC5H4F6O2
Molecular Weight210.07 g/mol
Exact Mass210.01
IUPAC Name3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol
SMILESOC1C(O)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H4F6O2/c6-3(7)1(12)2(13)4(8,9)5(3,10)11/h1-2,12-13H
InChIKeyHORZSSSFLXYYCG-UHFFFAOYSA-N
XLogP0.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,1,2,2,3,3,4,5-octafluorocyclopentane
CID 2778426
rutherfordium;2,2,3-trifluorocyclopropan-1-ol
CID 59685229
1,1,2,2,3,3,4,5,5,6-decafluorocyclohexane
CID 23233742
2,2,3,3,4,4-hexafluoro-6-oxabicyclo[3.1.0]hexane
CID 135324593
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoro-4a,8a-dihydronaphthalene
CID 21225585
(2S,3S,5S,6S)-1-fluorocyclohexane-1,2,3,4,5,6-hexol
CID 67417215
1,1,2,2,3,3-hexafluoro-4,5-bis(trifluoromethyl)cyclopentane
CID 89333882
1,2,2,3,3,4-hexafluorocyclobutan-1-ol
CID 91449587
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15-triacontafluorocyclopentadecane
CID 162355786
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-icosafluoro-4a,8a,9a,10a-tetrahydroanthracene
CID 88625549
(2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol
CID 131865258

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol?
The IUPAC name of 3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol (CID 150455539) is 3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol.
What is the SMILES notation for 3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol?
The canonical SMILES for 3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol is OC1C(O)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol?
The InChIKey is HORZSSSFLXYYCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F6O2/c6-3(7)1(12)2(13)4(8,9)5(3,10)11/h1-2,12-13H.
What are the key properties of 3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol?
3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol has a molecular weight of 210.07 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluorocyclopentane-1,2-diol is sourced from PubChem (CID 150455539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).