5-tert-butyl-2-(2,2-dimethylpropyl)-4-fluorooxolan-3-ol

C13H25FO2 — CID 59848447

IUPAC5-tert-butyl-2-(2,2-dimethylpropyl)-4-fluorooxolan-3-ol
SMILESCC(C)(C)CC1OC(C(C)(C)C)C(F)C1O
InChIInChI=1S/C13H25FO2/c1-12(2,3)7-8-10(15)9(14)11(16-8)13(4,5)6/h8-11,15H,7H2,1-6H3
InChIKeyLSPOIYPJHNWHFS-UHFFFAOYSA-N
MW232.34 g/mol
LogP2.94
Rot. Bonds1

About 5-tert-butyl-2-(2,2-dimethylpropyl)-4-fluorooxolan-3-ol

5-tert-butyl-2-(2,2-dimethylpropyl)-4-fluorooxolan-3-ol (PubChem CID 59848447) has the molecular formula C13H25FO2 and a molecular weight of 232.34 g/mol. Its IUPAC name is 5-tert-butyl-2-(2,2-dimethylpropyl)-4-fluorooxolan-3-ol.

Molecular Properties

Compound Name5-tert-butyl-2-(2,2-dimethylpropyl)-4-fluorooxolan-3-ol
PubChem CID59848447
Molecular FormulaC13H25FO2
Molecular Weight232.34 g/mol
Exact Mass232.18
IUPAC Name5-tert-butyl-2-(2,2-dimethylpropyl)-4-fluorooxolan-3-ol
SMILESCC(C)(C)CC1OC(C(C)(C)C)C(F)C1O
InChIInChI=1S/C13H25FO2/c1-12(2,3)7-8-10(15)9(14)11(16-8)13(4,5)6/h8-11,15H,7H2,1-6H3
InChIKeyLSPOIYPJHNWHFS-UHFFFAOYSA-N
XLogP2.94
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.34
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2,2-dimethylpropyl)-4-fluorooxolan-3-ol?
The IUPAC name of 5-tert-butyl-2-(2,2-dimethylpropyl)-4-fluorooxolan-3-ol (CID 59848447) is 5-tert-butyl-2-(2,2-dimethylpropyl)-4-fluorooxolan-3-ol.
What is the SMILES notation for 5-tert-butyl-2-(2,2-dimethylpropyl)-4-fluorooxolan-3-ol?
The canonical SMILES for 5-tert-butyl-2-(2,2-dimethylpropyl)-4-fluorooxolan-3-ol is CC(C)(C)CC1OC(C(C)(C)C)C(F)C1O.
What is the InChIKey of 5-tert-butyl-2-(2,2-dimethylpropyl)-4-fluorooxolan-3-ol?
The InChIKey is LSPOIYPJHNWHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FO2/c1-12(2,3)7-8-10(15)9(14)11(16-8)13(4,5)6/h8-11,15H,7H2,1-6H3.
What are the key properties of 5-tert-butyl-2-(2,2-dimethylpropyl)-4-fluorooxolan-3-ol?
5-tert-butyl-2-(2,2-dimethylpropyl)-4-fluorooxolan-3-ol has a molecular weight of 232.34 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2,2-dimethylpropyl)-4-fluorooxolan-3-ol is sourced from PubChem (CID 59848447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).