CID 162200906

C9H17BF2O5 — CID 162200906

IUPAC—
SMILES[B]C(F)(F)COCC(COC)OCC(O)CO
InChIInChI=1S/C9H17BF2O5/c1-15-4-8(17-3-7(14)2-13)5-16-6-9(10,11)12/h7-8,13-14H,2-6H2,1H3
InChIKeyFMXLGIGBWHTAAS-UHFFFAOYSA-N
MW254.04 g/mol
LogP-0.85
Rot. Bonds10

About CID 162200906

CID 162200906 (PubChem CID 162200906) has the molecular formula C9H17BF2O5 and a molecular weight of 254.04 g/mol.

Molecular Properties

Compound NameCID 162200906
PubChem CID162200906
Molecular FormulaC9H17BF2O5
Molecular Weight254.04 g/mol
Exact Mass254.11
IUPAC Name—
SMILES[B]C(F)(F)COCC(COC)OCC(O)CO
InChIInChI=1S/C9H17BF2O5/c1-15-4-8(17-3-7(14)2-13)5-16-6-9(10,11)12/h7-8,13-14H,2-6H2,1H3
InChIKeyFMXLGIGBWHTAAS-UHFFFAOYSA-N
XLogP-0.85
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.04
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1,3-bis(1,3-dimethoxypropan-2-yloxy)propan-2-ol
CID 71445138
3-[3-[3-[2-[2,3-bis[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]-3-[1-(2,3-dihydroxypropoxy)-3-[1-(2,3-dihydroxypropoxy)-3-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]propoxy]propan-2-yl]oxypropan-2-yl]oxypropoxy]-2-(2,3-dihydroxypropoxy)propoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 58807552
3-(2,2-difluoro-2-methoxyethoxy)propane-1,2-diol
CID 21136336
3-[3-[3-[2-[[2-[2,3-bis(2,3-dihydroxypropoxy)propoxy]-3-[2-(2,3-dihydroxypropoxy)-3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]propoxy]propoxy]methyl]-2-[[3-[2-(2,3-dihydroxypropoxy)-3-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]propoxy]-2-[3-(2,3-dihydroxypropoxy)-2-[3-(2,3-dihydroxypropoxy)-2-hydroxypropoxy]propoxy]propoxy]methyl]butoxy]-2-[2-(2,3-dihydroxypropoxy)-3-hydroxypropoxy]propoxy]-2-hydroxypropoxy]propane-1,2-diol
CID 155644548
1-[1,3-bis(2-methoxyethoxy)propan-2-yloxy]-3-(2-methoxyethoxy)propan-2-ol
CID 132556170
(2R,5S)-6-methoxyhexane-1,2,5-triol
CID 130342864
methane;methoxymethanol;3-methoxypropane-1,2-diol
CID 159796691
3-methoxypropane-1,2-diol;dihydrochloride
CID 87908148
3-(2-hydroxy-2-methylpropoxy)propane-1,2-diol
CID 174900161
3-[1-[2,3-bis[3-chloro-2-(2,3-dihydroxypropoxy)propoxy]propoxy]-3-chloropropan-2-yl]oxypropane-1,2-diol
CID 54196673
2-[2-[2-[2-[3-[1-[1,3-bis(1,3-dihydroxypropan-2-yloxy)propan-2-yloxy]-3-[1-(1,3-dihydroxypropan-2-yloxy)-3-hydroxypropan-2-yl]oxypropan-2-yl]oxy-2-[3-(1,3-dihydroxypropan-2-yloxy)-2-(2,3-dihydroxypropoxy)propoxy]propoxy]-3-(1,3-dihydroxypropan-2-yloxy)propoxy]-3-hydroxypropoxy]-3-hydroxypropoxy]propane-1,3-diol
CID 89349229
3-[1-methoxy-3-[2-[3-[methyl-bis(trimethylsilyloxy)silyl]propoxy]ethoxy]propan-2-yl]oxypropane-1,2-diol
CID 58479003

Frequently Asked Questions

What is the IUPAC name of CID 162200906?
The IUPAC name of CID 162200906 (CID 162200906) is not available.
What is the SMILES notation for CID 162200906?
The canonical SMILES for CID 162200906 is [B]C(F)(F)COCC(COC)OCC(O)CO.
What is the InChIKey of CID 162200906?
The InChIKey is FMXLGIGBWHTAAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BF2O5/c1-15-4-8(17-3-7(14)2-13)5-16-6-9(10,11)12/h7-8,13-14H,2-6H2,1H3.
What are the key properties of CID 162200906?
CID 162200906 has a molecular weight of 254.04 g/mol, XLogP of -0.85, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162200906 is sourced from PubChem (CID 162200906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).