2-fluoro-5-(2-hydroxy-3-methoxypropoxy)-2,4,4-trimethylpentan-1-ol

C12H25FO4 — CID 138481907

IUPAC2-fluoro-5-(2-hydroxy-3-methoxypropoxy)-2,4,4-trimethylpentan-1-ol
SMILESCOCC(O)COCC(C)(C)CC(C)(F)CO
InChIInChI=1S/C12H25FO4/c1-11(2,7-12(3,13)8-14)9-17-6-10(15)5-16-4/h10,14-15H,5-9H2,1-4H3
InChIKeyZVOUEKDRLOLKCU-UHFFFAOYSA-N
MW252.33 g/mol
LogP1.15
Rot. Bonds9

About 2-fluoro-5-(2-hydroxy-3-methoxypropoxy)-2,4,4-trimethylpentan-1-ol

2-fluoro-5-(2-hydroxy-3-methoxypropoxy)-2,4,4-trimethylpentan-1-ol (PubChem CID 138481907) has the molecular formula C12H25FO4 and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-fluoro-5-(2-hydroxy-3-methoxypropoxy)-2,4,4-trimethylpentan-1-ol.

Molecular Properties

Compound Name2-fluoro-5-(2-hydroxy-3-methoxypropoxy)-2,4,4-trimethylpentan-1-ol
PubChem CID138481907
Molecular FormulaC12H25FO4
Molecular Weight252.33 g/mol
Exact Mass252.17
IUPAC Name2-fluoro-5-(2-hydroxy-3-methoxypropoxy)-2,4,4-trimethylpentan-1-ol
SMILESCOCC(O)COCC(C)(C)CC(C)(F)CO
InChIInChI=1S/C12H25FO4/c1-11(2,7-12(3,13)8-14)9-17-6-10(15)5-16-4/h10,14-15H,5-9H2,1-4H3
InChIKeyZVOUEKDRLOLKCU-UHFFFAOYSA-N
XLogP1.15
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-hydroxy-2,2-dimethylpropoxy)propane-1,2-diol
CID 18991200
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]-3-methoxypropan-2-ol
CID 88655335
1-aminooxy-3-[3-(3-aminooxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol
CID 142384045
2,2-difluoro-2-(fluoromethoxy)ethanol;1-(2-fluoroethoxy)-3-methoxypropan-2-ol;bis(1,1,2,2-tetrafluoroethene)
CID 161291709
1-[2-[[2-[2-[3-[2-[1,1-difluoro-2-(2-methoxyethoxy)ethoxy]-2,2-difluoroethoxy]-2-hydroxypropoxy]-1,1-difluoroethoxy]-2,2-difluoroethoxy]methoxy]ethoxy]-3-(2-hydroxyethoxy)propan-2-ol
CID 157172229
3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol
CID 21136336
CID 162200906
CID 162200906
4-[2-hydroxy-3-(3-hydroxy-4-methoxybutoxy)propoxy]-1-methoxybutan-2-ol
CID 177262204
1-diethylphosphoryloxy-3-[3-(3-diethylphosphoryloxy-2-hydroxypropoxy)-2,2-dimethylpropoxy]propan-2-ol
CID 169009446
1-methoxy-3-[3-(2-methoxyethoxy)propoxy]propan-2-ol
CID 107508453
1-(2-amino-2-methylpropoxy)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991230
5-(2-hydroxy-3-methoxypropoxy)-2,4-dimethylpentan-2-ol
CID 138482304

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-hydroxy-3-methoxypropoxy)-2,4,4-trimethylpentan-1-ol?
The IUPAC name of 2-fluoro-5-(2-hydroxy-3-methoxypropoxy)-2,4,4-trimethylpentan-1-ol (CID 138481907) is 2-fluoro-5-(2-hydroxy-3-methoxypropoxy)-2,4,4-trimethylpentan-1-ol.
What is the SMILES notation for 2-fluoro-5-(2-hydroxy-3-methoxypropoxy)-2,4,4-trimethylpentan-1-ol?
The canonical SMILES for 2-fluoro-5-(2-hydroxy-3-methoxypropoxy)-2,4,4-trimethylpentan-1-ol is COCC(O)COCC(C)(C)CC(C)(F)CO.
What is the InChIKey of 2-fluoro-5-(2-hydroxy-3-methoxypropoxy)-2,4,4-trimethylpentan-1-ol?
The InChIKey is ZVOUEKDRLOLKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25FO4/c1-11(2,7-12(3,13)8-14)9-17-6-10(15)5-16-4/h10,14-15H,5-9H2,1-4H3.
What are the key properties of 2-fluoro-5-(2-hydroxy-3-methoxypropoxy)-2,4,4-trimethylpentan-1-ol?
2-fluoro-5-(2-hydroxy-3-methoxypropoxy)-2,4,4-trimethylpentan-1-ol has a molecular weight of 252.33 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-hydroxy-3-methoxypropoxy)-2,4,4-trimethylpentan-1-ol is sourced from PubChem (CID 138481907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).