(1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol

C19H21F3OSi — CID 10689220

IUPAC(1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESC=C(C[C@H](O)c1ccc(C(F)(F)F)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H21F3OSi/c1-14(24(2,3)17-7-5-4-6-8-17)13-18(23)15-9-11-16(12-10-15)19(20,21)22/h4-12,18,23H,1,13H2,2-3H3/t18-/m0/s1
InChIKeyWGBDEWAWAOMUAZ-SFHVURJKSA-N
MW350.46 g/mol
LogP4.84
Rot. Bonds5

About (1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol

(1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol (PubChem CID 10689220) has the molecular formula C19H21F3OSi and a molecular weight of 350.46 g/mol. Its IUPAC name is (1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol.

Molecular Properties

Compound Name(1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
PubChem CID10689220
Molecular FormulaC19H21F3OSi
Molecular Weight350.46 g/mol
Exact Mass350.13
IUPAC Name(1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol
SMILESC=C(C[C@H](O)c1ccc(C(F)(F)F)cc1)[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H21F3OSi/c1-14(24(2,3)17-7-5-4-6-8-17)13-18(23)15-9-11-16(12-10-15)19(20,21)22/h4-12,18,23H,1,13H2,2-3H3/t18-/m0/s1
InChIKeyWGBDEWAWAOMUAZ-SFHVURJKSA-N
XLogP4.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[dimethyl(phenyl)silyl]-[4-(trifluoromethyl)phenyl]methanol
CID 56933855
3-methylidene-1-[4-(trifluoromethyl)phenyl]pentan-1-ol
CID 115817570
(3R)-3-hydroxy-1-phenyl-3-[4-(trifluoromethyl)phenyl]propan-1-one
CID 101378731
(4R)-4-hydroxy-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 11593826
(4R)-4-[dimethyl(phenyl)silyl]-4-[4-(trifluoromethyl)phenyl]butan-2-one
CID 16757036
(1R)-1-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 10192650
dimethyl-phenyl-[(1R)-1-[4-(trifluoromethyl)phenyl]prop-2-enyl]silane
CID 71663437
ethyl (3S)-3-hydroxy-3-[4-(trifluoromethyl)phenyl]propanoate
CID 94425179
2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 175359378
(1S)-2-(5-methyl-1,3,4-oxadiazol-2-yl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 175152701
dimethyl-phenyl-(3,3,3-trifluoroprop-1-en-2-yl)silane
CID 11401963
2-(methylamino)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 60903965

Frequently Asked Questions

What is the IUPAC name of (1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
The IUPAC name of (1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol (CID 10689220) is (1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol.
What is the SMILES notation for (1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
The canonical SMILES for (1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol is C=C(C[C@H](O)c1ccc(C(F)(F)F)cc1)[Si](C)(C)c1ccccc1.
What is the InChIKey of (1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
The InChIKey is WGBDEWAWAOMUAZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21F3OSi/c1-14(24(2,3)17-7-5-4-6-8-17)13-18(23)15-9-11-16(12-10-15)19(20,21)22/h4-12,18,23H,1,13H2,2-3H3/t18-/m0/s1.
What are the key properties of (1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol?
(1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol has a molecular weight of 350.46 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3-[dimethyl(phenyl)silyl]-1-[4-(trifluoromethyl)phenyl]but-3-en-1-ol is sourced from PubChem (CID 10689220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).