1-(2-fluorophenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol

C20H27FOSi — CID 175187393

IUPAC1-(2-fluorophenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
SMILESCC(C)[Si](C#CC#CC(O)c1ccccc1F)(C(C)C)C(C)C
InChIInChI=1S/C20H27FOSi/c1-15(2)23(16(3)4,17(5)6)14-10-9-13-20(22)18-11-7-8-12-19(18)21/h7-8,11-12,15-17,20,22H,1-6H3
InChIKeyCVBCULBMOIERDS-UHFFFAOYSA-N
MW330.52 g/mol
LogP5.08
Rot. Bonds4

About 1-(2-fluorophenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol

1-(2-fluorophenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol (PubChem CID 175187393) has the molecular formula C20H27FOSi and a molecular weight of 330.52 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol.

Molecular Properties

Compound Name1-(2-fluorophenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
PubChem CID175187393
Molecular FormulaC20H27FOSi
Molecular Weight330.52 g/mol
Exact Mass330.18
IUPAC Name1-(2-fluorophenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
SMILESCC(C)[Si](C#CC#CC(O)c1ccccc1F)(C(C)C)C(C)C
InChIInChI=1S/C20H27FOSi/c1-15(2)23(16(3)4,17(5)6)14-10-9-13-20(22)18-11-7-8-12-19(18)21/h7-8,11-12,15-17,20,22H,1-6H3
InChIKeyCVBCULBMOIERDS-UHFFFAOYSA-N
XLogP5.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-3-tri(propan-2-yl)silylprop-2-yn-1-ol
CID 123904878
(1R)-1-(2-methylphenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
CID 102291895
(1S)-1-(2-methylphenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
CID 102291896
(1S,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 66633990
(1R,2S)-1-(2-fluorophenyl)propane-1,2-diol
CID 130128160
[(E)-5,6-diphenyl-10-tri(propan-2-yl)silyldec-5-en-1,3,7,9-tetraynyl]-tri(propan-2-yl)silane
CID 102473895
1-fluoro-1-(2-fluorophenyl)propan-2-ol
CID 105435040
bis(2-fluorophenyl)methanol
CID 18424663
methyl 2-(2-fluorophenyl)-2-hydroxyacetate
CID 19602988
1-fluoro-2-[(2R)-3-methylbutan-2-yl]benzene
CID 138464950
[(Z)-3-fluoro-4-phenylpent-3-en-1-ynyl]-tri(propan-2-yl)silane
CID 10757817
(1R)-1-[2-(2-fluorophenyl)sulfanylphenyl]ethanol
CID 63813079

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol?
The IUPAC name of 1-(2-fluorophenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol (CID 175187393) is 1-(2-fluorophenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol.
What is the SMILES notation for 1-(2-fluorophenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol?
The canonical SMILES for 1-(2-fluorophenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol is CC(C)[Si](C#CC#CC(O)c1ccccc1F)(C(C)C)C(C)C.
What is the InChIKey of 1-(2-fluorophenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol?
The InChIKey is CVBCULBMOIERDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FOSi/c1-15(2)23(16(3)4,17(5)6)14-10-9-13-20(22)18-11-7-8-12-19(18)21/h7-8,11-12,15-17,20,22H,1-6H3.
What are the key properties of 1-(2-fluorophenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol?
1-(2-fluorophenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol has a molecular weight of 330.52 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol is sourced from PubChem (CID 175187393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).