5-tert-butyl-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol

C13H25FO3 — CID 155619005

IUPAC5-tert-butyl-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
SMILESCC(C)(C)OCC1OC(C(C)(C)C)C(F)C1O
InChIInChI=1S/C13H25FO3/c1-12(2,3)11-9(14)10(15)8(17-11)7-16-13(4,5)6/h8-11,15H,7H2,1-6H3
InChIKeyZQKFAEGTYSFSMG-UHFFFAOYSA-N
MW248.34 g/mol
LogP2.31
Rot. Bonds2

About 5-tert-butyl-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol

5-tert-butyl-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol (PubChem CID 155619005) has the molecular formula C13H25FO3 and a molecular weight of 248.34 g/mol. Its IUPAC name is 5-tert-butyl-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol.

Molecular Properties

Compound Name5-tert-butyl-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
PubChem CID155619005
Molecular FormulaC13H25FO3
Molecular Weight248.34 g/mol
Exact Mass248.18
IUPAC Name5-tert-butyl-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
SMILESCC(C)(C)OCC1OC(C(C)(C)C)C(F)C1O
InChIInChI=1S/C13H25FO3/c1-12(2,3)11-9(14)10(15)8(17-11)7-16-13(4,5)6/h8-11,15H,7H2,1-6H3
InChIKeyZQKFAEGTYSFSMG-UHFFFAOYSA-N
XLogP2.31
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
The IUPAC name of 5-tert-butyl-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol (CID 155619005) is 5-tert-butyl-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol.
What is the SMILES notation for 5-tert-butyl-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
The canonical SMILES for 5-tert-butyl-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol is CC(C)(C)OCC1OC(C(C)(C)C)C(F)C1O.
What is the InChIKey of 5-tert-butyl-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
The InChIKey is ZQKFAEGTYSFSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25FO3/c1-12(2,3)11-9(14)10(15)8(17-11)7-16-13(4,5)6/h8-11,15H,7H2,1-6H3.
What are the key properties of 5-tert-butyl-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
5-tert-butyl-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol has a molecular weight of 248.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-4-fluoro-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol is sourced from PubChem (CID 155619005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).