2-(3,5-dichlorophenyl)-1,1,1-trifluoro-5-trimethylsilyloxypent-3-yn-2-ol

C14H15Cl2F3O2Si — CID 71142862

IUPAC2-(3,5-dichlorophenyl)-1,1,1-trifluoro-5-trimethylsilyloxypent-3-yn-2-ol
SMILESC[Si](C)(C)OCC#CC(O)(c1cc(Cl)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C14H15Cl2F3O2Si/c1-22(2,3)21-6-4-5-13(20,14(17,18)19)10-7-11(15)9-12(16)8-10/h7-9,20H,6H2,1-3H3
InChIKeyTVEACLWZTVANFN-UHFFFAOYSA-N
MW371.26 g/mol
LogP4.60
Rot. Bonds3

About 2-(3,5-dichlorophenyl)-1,1,1-trifluoro-5-trimethylsilyloxypent-3-yn-2-ol

2-(3,5-dichlorophenyl)-1,1,1-trifluoro-5-trimethylsilyloxypent-3-yn-2-ol (PubChem CID 71142862) has the molecular formula C14H15Cl2F3O2Si and a molecular weight of 371.26 g/mol. Its IUPAC name is 2-(3,5-dichlorophenyl)-1,1,1-trifluoro-5-trimethylsilyloxypent-3-yn-2-ol.

Molecular Properties

Compound Name2-(3,5-dichlorophenyl)-1,1,1-trifluoro-5-trimethylsilyloxypent-3-yn-2-ol
PubChem CID71142862
Molecular FormulaC14H15Cl2F3O2Si
Molecular Weight371.26 g/mol
Exact Mass370.02
IUPAC Name2-(3,5-dichlorophenyl)-1,1,1-trifluoro-5-trimethylsilyloxypent-3-yn-2-ol
SMILESC[Si](C)(C)OCC#CC(O)(c1cc(Cl)cc(Cl)c1)C(F)(F)F
InChIInChI=1S/C14H15Cl2F3O2Si/c1-22(2,3)21-6-4-5-13(20,14(17,18)19)10-7-11(15)9-12(16)8-10/h7-9,20H,6H2,1-3H3
InChIKeyTVEACLWZTVANFN-UHFFFAOYSA-N
XLogP4.60
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.26
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichlorophenyl)-1,1,1-trifluoro-5-trimethylsilyloxypent-3-yn-2-ol?
The IUPAC name of 2-(3,5-dichlorophenyl)-1,1,1-trifluoro-5-trimethylsilyloxypent-3-yn-2-ol (CID 71142862) is 2-(3,5-dichlorophenyl)-1,1,1-trifluoro-5-trimethylsilyloxypent-3-yn-2-ol.
What is the SMILES notation for 2-(3,5-dichlorophenyl)-1,1,1-trifluoro-5-trimethylsilyloxypent-3-yn-2-ol?
The canonical SMILES for 2-(3,5-dichlorophenyl)-1,1,1-trifluoro-5-trimethylsilyloxypent-3-yn-2-ol is C[Si](C)(C)OCC#CC(O)(c1cc(Cl)cc(Cl)c1)C(F)(F)F.
What is the InChIKey of 2-(3,5-dichlorophenyl)-1,1,1-trifluoro-5-trimethylsilyloxypent-3-yn-2-ol?
The InChIKey is TVEACLWZTVANFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2F3O2Si/c1-22(2,3)21-6-4-5-13(20,14(17,18)19)10-7-11(15)9-12(16)8-10/h7-9,20H,6H2,1-3H3.
What are the key properties of 2-(3,5-dichlorophenyl)-1,1,1-trifluoro-5-trimethylsilyloxypent-3-yn-2-ol?
2-(3,5-dichlorophenyl)-1,1,1-trifluoro-5-trimethylsilyloxypent-3-yn-2-ol has a molecular weight of 371.26 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichlorophenyl)-1,1,1-trifluoro-5-trimethylsilyloxypent-3-yn-2-ol is sourced from PubChem (CID 71142862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).