(3R)-1-phenyl-3-(trifluoromethyl)-6-trimethylsilylhex-5-yn-3-ol

C16H21F3OSi — CID 71663566

IUPAC(3R)-1-phenyl-3-(trifluoromethyl)-6-trimethylsilylhex-5-yn-3-ol
SMILESC[Si](C)(C)C#CC[C@](O)(CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H21F3OSi/c1-21(2,3)13-7-11-15(20,16(17,18)19)12-10-14-8-5-4-6-9-14/h4-6,8-9,20H,10-12H2,1-3H3/t15-/m0/s1
InChIKeyVPCBOOLOTIASNM-HNNXBMFYSA-N
MW314.42 g/mol
LogP4.18
Rot. Bonds4

About (3R)-1-phenyl-3-(trifluoromethyl)-6-trimethylsilylhex-5-yn-3-ol

(3R)-1-phenyl-3-(trifluoromethyl)-6-trimethylsilylhex-5-yn-3-ol (PubChem CID 71663566) has the molecular formula C16H21F3OSi and a molecular weight of 314.42 g/mol. Its IUPAC name is (3R)-1-phenyl-3-(trifluoromethyl)-6-trimethylsilylhex-5-yn-3-ol.

Molecular Properties

Compound Name(3R)-1-phenyl-3-(trifluoromethyl)-6-trimethylsilylhex-5-yn-3-ol
PubChem CID71663566
Molecular FormulaC16H21F3OSi
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name(3R)-1-phenyl-3-(trifluoromethyl)-6-trimethylsilylhex-5-yn-3-ol
SMILESC[Si](C)(C)C#CC[C@](O)(CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C16H21F3OSi/c1-21(2,3)13-7-11-15(20,16(17,18)19)12-10-14-8-5-4-6-9-14/h4-6,8-9,20H,10-12H2,1-3H3/t15-/m0/s1
InChIKeyVPCBOOLOTIASNM-HNNXBMFYSA-N
XLogP4.18
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 54.18
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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Frequently Asked Questions

What is the IUPAC name of (3R)-1-phenyl-3-(trifluoromethyl)-6-trimethylsilylhex-5-yn-3-ol?
The IUPAC name of (3R)-1-phenyl-3-(trifluoromethyl)-6-trimethylsilylhex-5-yn-3-ol (CID 71663566) is (3R)-1-phenyl-3-(trifluoromethyl)-6-trimethylsilylhex-5-yn-3-ol.
What is the SMILES notation for (3R)-1-phenyl-3-(trifluoromethyl)-6-trimethylsilylhex-5-yn-3-ol?
The canonical SMILES for (3R)-1-phenyl-3-(trifluoromethyl)-6-trimethylsilylhex-5-yn-3-ol is C[Si](C)(C)C#CC[C@](O)(CCc1ccccc1)C(F)(F)F.
What is the InChIKey of (3R)-1-phenyl-3-(trifluoromethyl)-6-trimethylsilylhex-5-yn-3-ol?
The InChIKey is VPCBOOLOTIASNM-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H21F3OSi/c1-21(2,3)13-7-11-15(20,16(17,18)19)12-10-14-8-5-4-6-9-14/h4-6,8-9,20H,10-12H2,1-3H3/t15-/m0/s1.
What are the key properties of (3R)-1-phenyl-3-(trifluoromethyl)-6-trimethylsilylhex-5-yn-3-ol?
(3R)-1-phenyl-3-(trifluoromethyl)-6-trimethylsilylhex-5-yn-3-ol has a molecular weight of 314.42 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-phenyl-3-(trifluoromethyl)-6-trimethylsilylhex-5-yn-3-ol is sourced from PubChem (CID 71663566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).