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

C14H27FO3 — CID 155619011

IUPAC5-tert-butyl-4-fluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
SMILESCC(C)(C)OCC1OC(C(C)(C)C)C(C)(F)C1O
InChIInChI=1S/C14H27FO3/c1-12(2,3)11-14(7,15)10(16)9(18-11)8-17-13(4,5)6/h9-11,16H,8H2,1-7H3
InChIKeyUJRZIWXJIZNUSG-UHFFFAOYSA-N
MW262.36 g/mol
LogP2.70
Rot. Bonds2

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

5-tert-butyl-4-fluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol (PubChem CID 155619011) has the molecular formula C14H27FO3 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-tert-butyl-4-fluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol.

Molecular Properties

Compound Name5-tert-butyl-4-fluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
PubChem CID155619011
Molecular FormulaC14H27FO3
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name5-tert-butyl-4-fluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol
SMILESCC(C)(C)OCC1OC(C(C)(C)C)C(C)(F)C1O
InChIInChI=1S/C14H27FO3/c1-12(2,3)11-14(7,15)10(16)9(18-11)8-17-13(4,5)6/h9-11,16H,8H2,1-7H3
InChIKeyUJRZIWXJIZNUSG-UHFFFAOYSA-N
XLogP2.70
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Tert-butyl-5-methyloxolan-2-yl)propan-2-ol
CID 73001220
2-(5-(1-Hydroxyethyl)-5-methyl-tetrahydrofuran-2-yl)propan-1-ol
CID 91540861
1-[(2S,4R,5R)-4-methyl-5-[(2-methylpropan-2-yl)oxymethyl]oxolan-2-yl]ethane-1,2-diol
CID 134866083
2-Methyl-2-(2-hydroxyethyl)-5-(2-hydroxyprop-2-yl)tetrahydrofuran
CID 73309466
(3-Fluoro-2,3,4,4,5,5-hexamethyloxolan-2-yl)methanol
CID 18684821
5-Tert-butyl-2-(2,2-dimethylpropyl)-4-fluorooxolan-3-ol
CID 59848447
(2S,3S,4R,5R)-2-tert-butyl-4-fluoro-5-(hydroxymethyl)oxolan-3-ol
CID 68047173
CID 90429294
CID 90429294
2-[1-(5,5-Dimethyloxolan-2-yl)-2-fluoropropoxy]ethanol
CID 123946053
(2S,3S,4R,5R)-4-fluoro-2-[4-[(2R,3S,4S,5S)-3-fluoro-4-hydroxy-5-propan-2-yloxolan-2-yl]-4-methylpentan-2-yl]-5-propan-2-yloxolan-3-ol
CID 130441411
(2R,3R,4S,5S)-2-tert-butyl-4-fluoro-5-propan-2-yloxolan-3-ol
CID 130441414
(2R,3R,4R,5S)-2-ethyl-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 138526663

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-4-fluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
The IUPAC name of 5-tert-butyl-4-fluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol (CID 155619011) is 5-tert-butyl-4-fluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol.
What is the SMILES notation for 5-tert-butyl-4-fluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
The canonical SMILES for 5-tert-butyl-4-fluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol is CC(C)(C)OCC1OC(C(C)(C)C)C(C)(F)C1O.
What is the InChIKey of 5-tert-butyl-4-fluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
The InChIKey is UJRZIWXJIZNUSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27FO3/c1-12(2,3)11-14(7,15)10(16)9(18-11)8-17-13(4,5)6/h9-11,16H,8H2,1-7H3.
What are the key properties of 5-tert-butyl-4-fluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol?
5-tert-butyl-4-fluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol has a molecular weight of 262.36 g/mol, XLogP of 2.70, 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-4-methyl-2-[(2-methylpropan-2-yl)oxymethyl]oxolan-3-ol is sourced from PubChem (CID 155619011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).