(2S,4S)-2-(trifluoromethyl)-5-(2-trimethylsilylpropan-2-yloxy)pentane-1,4-diol

C12H25F3O3Si — CID 23236652

IUPAC(2S,4S)-2-(trifluoromethyl)-5-(2-trimethylsilylpropan-2-yloxy)pentane-1,4-diol
SMILESCC(C)(OC[C@@H](O)C[C@@H](CO)C(F)(F)F)[Si](C)(C)C
InChIInChI=1S/C12H25F3O3Si/c1-11(2,19(3,4)5)18-8-10(17)6-9(7-16)12(13,14)15/h9-10,16-17H,6-8H2,1-5H3/t9-,10-/m0/s1
InChIKeyMIUFVYRVVALYCC-UWVGGRQHSA-N
MW302.41 g/mol
LogP2.58
Rot. Bonds7

About (2S,4S)-2-(trifluoromethyl)-5-(2-trimethylsilylpropan-2-yloxy)pentane-1,4-diol

(2S,4S)-2-(trifluoromethyl)-5-(2-trimethylsilylpropan-2-yloxy)pentane-1,4-diol (PubChem CID 23236652) has the molecular formula C12H25F3O3Si and a molecular weight of 302.41 g/mol. Its IUPAC name is (2S,4S)-2-(trifluoromethyl)-5-(2-trimethylsilylpropan-2-yloxy)pentane-1,4-diol.

Molecular Properties

Compound Name(2S,4S)-2-(trifluoromethyl)-5-(2-trimethylsilylpropan-2-yloxy)pentane-1,4-diol
PubChem CID23236652
Molecular FormulaC12H25F3O3Si
Molecular Weight302.41 g/mol
Exact Mass302.15
IUPAC Name(2S,4S)-2-(trifluoromethyl)-5-(2-trimethylsilylpropan-2-yloxy)pentane-1,4-diol
SMILESCC(C)(OC[C@@H](O)C[C@@H](CO)C(F)(F)F)[Si](C)(C)C
InChIInChI=1S/C12H25F3O3Si/c1-11(2,19(3,4)5)18-8-10(17)6-9(7-16)12(13,14)15/h9-10,16-17H,6-8H2,1-5H3/t9-,10-/m0/s1
InChIKeyMIUFVYRVVALYCC-UWVGGRQHSA-N
XLogP2.58
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,4S)-5-[tert-butyl(dimethyl)silyl]oxy-2-(trifluoromethyl)pentane-1,4-diol
CID 11833579
3-[2-(2,3-dihydroxypropoxy)propan-2-yloxy]propane-1,2-diol
CID 22994800
3-[1,1-bis(trimethylsilyl)prop-2-enoxy]propane-1,2-diol
CID 87616479
5-amino-5-(2-hydroxy-4-methylpentoxy)hexan-3-ol
CID 155443640
3-(2-methylbut-3-en-2-yloxy)propane-1,2-diol
CID 171441788
2-methyl-3-(1,1,2-trifluoropropoxy)propan-1-ol
CID 162612061
4,4-dimethyl-1-[(2-methylpropan-2-yl)oxy]pentan-2-ol;2-(2,2-dimethylpropyl)-4,4-dimethylpentan-1-ol
CID 162148938
2-[[amino(methyl)amino]methyl]-3,3,3-trifluoropropan-1-ol
CID 105435035
(2S)-1-[tert-butyl(dimethyl)silyl]oxybutan-2-ol
CID 86606837
2-(2,2-difluoroethyl)-3,3-dimethylbutan-1-ol
CID 170403892
1-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propoxy]butan-2-ol
CID 134453133
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(trifluoromethyl)-5-(2-trimethylsilylpropan-2-yloxy)pentane-1,4-diol?
The IUPAC name of (2S,4S)-2-(trifluoromethyl)-5-(2-trimethylsilylpropan-2-yloxy)pentane-1,4-diol (CID 23236652) is (2S,4S)-2-(trifluoromethyl)-5-(2-trimethylsilylpropan-2-yloxy)pentane-1,4-diol.
What is the SMILES notation for (2S,4S)-2-(trifluoromethyl)-5-(2-trimethylsilylpropan-2-yloxy)pentane-1,4-diol?
The canonical SMILES for (2S,4S)-2-(trifluoromethyl)-5-(2-trimethylsilylpropan-2-yloxy)pentane-1,4-diol is CC(C)(OC[C@@H](O)C[C@@H](CO)C(F)(F)F)[Si](C)(C)C.
What is the InChIKey of (2S,4S)-2-(trifluoromethyl)-5-(2-trimethylsilylpropan-2-yloxy)pentane-1,4-diol?
The InChIKey is MIUFVYRVVALYCC-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H25F3O3Si/c1-11(2,19(3,4)5)18-8-10(17)6-9(7-16)12(13,14)15/h9-10,16-17H,6-8H2,1-5H3/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-2-(trifluoromethyl)-5-(2-trimethylsilylpropan-2-yloxy)pentane-1,4-diol?
(2S,4S)-2-(trifluoromethyl)-5-(2-trimethylsilylpropan-2-yloxy)pentane-1,4-diol has a molecular weight of 302.41 g/mol, XLogP of 2.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(trifluoromethyl)-5-(2-trimethylsilylpropan-2-yloxy)pentane-1,4-diol is sourced from PubChem (CID 23236652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).