5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol

C9H9F9O5 — CID 163323930

IUPAC5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol
SMILESOCC1OC(O)C(O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1O
InChIInChI=1S/C9H9F9O5/c10-6(11,7(12,13)8(14,15)9(16,17)18)5(22)3(20)2(1-19)23-4(5)21/h2-4,19-22H,1H2
InChIKeyTUQKZNYBICDFSC-UHFFFAOYSA-N
MW368.15 g/mol
LogP0.26
Rot. Bonds4

About 5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol

5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol (PubChem CID 163323930) has the molecular formula C9H9F9O5 and a molecular weight of 368.15 g/mol. Its IUPAC name is 5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol.

Molecular Properties

Compound Name5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol
PubChem CID163323930
Molecular FormulaC9H9F9O5
Molecular Weight368.15 g/mol
Exact Mass368.03
IUPAC Name5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol
SMILESOCC1OC(O)C(O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1O
InChIInChI=1S/C9H9F9O5/c10-6(11,7(12,13)8(14,15)9(16,17)18)5(22)3(20)2(1-19)23-4(5)21/h2-4,19-22H,1H2
InChIKeyTUQKZNYBICDFSC-UHFFFAOYSA-N
XLogP0.26
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.15
LogP ≤ 50.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol with MolForge

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Related Compounds

(2R,3R,4S,5S,6R)-6-(hydroxymethyl)-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxane-2,3,4,5-tetrol
CID 18664166
CID 162602817
CID 162602817
(2R,5S,6R)-3,3,4,4-tetrafluoro-6-(hydroxymethyl)oxane-2,5-diol
CID 131865258
(2S,3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 134824480
(3S,4S,5S)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 44603614
(4R,5R)-3,3-difluoro-5-(hydroxymethyl)oxolane-2,4-diol
CID 14057748
(2S,4R,5R)-3,5-bis(hydroxymethyl)oxolane-2,3,4-triol
CID 131203511
(2S,4S,5S,6R)-6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 101196422
6-(hydroxymethyl)oxane-2,3,3,4,5-pentol
CID 22286958
(1S,4R,5R,6R)-4-(hydroxymethyl)-3,7-dioxabicyclo[4.1.0]heptane-1,2,5,6-tetrol
CID 91393562
(2R,3R,4S,5S,6R)-3-fluoro-6-(hydroxymethyl)oxane-2,3,4,5-tetrol
CID 118961526
3,3-difluoro-6-(hydroxymethyl)oxane-2,4,5-triol
CID 58092357

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol?
The IUPAC name of 5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol (CID 163323930) is 5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol.
What is the SMILES notation for 5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol?
The canonical SMILES for 5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol is OCC1OC(O)C(O)(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1O.
What is the InChIKey of 5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol?
The InChIKey is TUQKZNYBICDFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F9O5/c10-6(11,7(12,13)8(14,15)9(16,17)18)5(22)3(20)2(1-19)23-4(5)21/h2-4,19-22H,1H2.
What are the key properties of 5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol?
5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol has a molecular weight of 368.15 g/mol, XLogP of 0.26, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)oxolane-2,3,4-triol is sourced from PubChem (CID 163323930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).