(1R,2S)-2-methyl-3-phenyl-1-[2-(trifluoromethyl)phenyl]-3-trimethylsilyloxypropan-1-ol

C20H25F3O2Si — CID 72713135

IUPAC(1R,2S)-2-methyl-3-phenyl-1-[2-(trifluoromethyl)phenyl]-3-trimethylsilyloxypropan-1-ol
SMILESC[C@H](C(O[Si](C)(C)C)c1ccccc1)[C@@H](O)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H25F3O2Si/c1-14(18(24)16-12-8-9-13-17(16)20(21,22)23)19(25-26(2,3)4)15-10-6-5-7-11-15/h5-14,18-19,24H,1-4H3/t14-,18+,19?/m0/s1
InChIKeyPKNBXLSQIFMXQG-BQGOGBDGSA-N
MW382.50 g/mol
LogP5.97
Rot. Bonds6

About (1R,2S)-2-methyl-3-phenyl-1-[2-(trifluoromethyl)phenyl]-3-trimethylsilyloxypropan-1-ol

(1R,2S)-2-methyl-3-phenyl-1-[2-(trifluoromethyl)phenyl]-3-trimethylsilyloxypropan-1-ol (PubChem CID 72713135) has the molecular formula C20H25F3O2Si and a molecular weight of 382.50 g/mol. Its IUPAC name is (1R,2S)-2-methyl-3-phenyl-1-[2-(trifluoromethyl)phenyl]-3-trimethylsilyloxypropan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-methyl-3-phenyl-1-[2-(trifluoromethyl)phenyl]-3-trimethylsilyloxypropan-1-ol
PubChem CID72713135
Molecular FormulaC20H25F3O2Si
Molecular Weight382.50 g/mol
Exact Mass382.16
IUPAC Name(1R,2S)-2-methyl-3-phenyl-1-[2-(trifluoromethyl)phenyl]-3-trimethylsilyloxypropan-1-ol
SMILESC[C@H](C(O[Si](C)(C)C)c1ccccc1)[C@@H](O)c1ccccc1C(F)(F)F
InChIInChI=1S/C20H25F3O2Si/c1-14(18(24)16-12-8-9-13-17(16)20(21,22)23)19(25-26(2,3)4)15-10-6-5-7-11-15/h5-14,18-19,24H,1-4H3/t14-,18+,19?/m0/s1
InChIKeyPKNBXLSQIFMXQG-BQGOGBDGSA-N
XLogP5.97
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.50
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3-dimethyl-1-[2-(trifluoromethyl)phenyl]butan-1-ol
CID 115795995
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CID 103459409
2-amino-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 62717974
2-methoxy-2-phenyl-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 116772777
1-[2-(trifluoromethyl)phenyl]ethyl hydrogen carbonate
CID 67316617
1-(1-bromoethyl)-2-(trifluoromethyl)benzene
CID 2775621
(1S,2S)-1-amino-1-[2-(trifluoromethyl)phenyl]propan-2-ol
CID 131376163
(1S)-1-phenyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 59906761
(S)-[2-fluoro-3-(trifluoromethyl)phenyl]-phenylmethanol
CID 162539234
(2R,3S)-2-amino-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 10243770
ethyl 2-[hydroxy-[2-(trifluoromethyl)phenyl]methyl]butanoate
CID 62394555
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-methyl-3-phenyl-1-[2-(trifluoromethyl)phenyl]-3-trimethylsilyloxypropan-1-ol?
The IUPAC name of (1R,2S)-2-methyl-3-phenyl-1-[2-(trifluoromethyl)phenyl]-3-trimethylsilyloxypropan-1-ol (CID 72713135) is (1R,2S)-2-methyl-3-phenyl-1-[2-(trifluoromethyl)phenyl]-3-trimethylsilyloxypropan-1-ol.
What is the SMILES notation for (1R,2S)-2-methyl-3-phenyl-1-[2-(trifluoromethyl)phenyl]-3-trimethylsilyloxypropan-1-ol?
The canonical SMILES for (1R,2S)-2-methyl-3-phenyl-1-[2-(trifluoromethyl)phenyl]-3-trimethylsilyloxypropan-1-ol is C[C@H](C(O[Si](C)(C)C)c1ccccc1)[C@@H](O)c1ccccc1C(F)(F)F.
What is the InChIKey of (1R,2S)-2-methyl-3-phenyl-1-[2-(trifluoromethyl)phenyl]-3-trimethylsilyloxypropan-1-ol?
The InChIKey is PKNBXLSQIFMXQG-BQGOGBDGSA-N. The full InChI is InChI=1S/C20H25F3O2Si/c1-14(18(24)16-12-8-9-13-17(16)20(21,22)23)19(25-26(2,3)4)15-10-6-5-7-11-15/h5-14,18-19,24H,1-4H3/t14-,18+,19?/m0/s1.
What are the key properties of (1R,2S)-2-methyl-3-phenyl-1-[2-(trifluoromethyl)phenyl]-3-trimethylsilyloxypropan-1-ol?
(1R,2S)-2-methyl-3-phenyl-1-[2-(trifluoromethyl)phenyl]-3-trimethylsilyloxypropan-1-ol has a molecular weight of 382.50 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-methyl-3-phenyl-1-[2-(trifluoromethyl)phenyl]-3-trimethylsilyloxypropan-1-ol is sourced from PubChem (CID 72713135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).