2-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)-1-trimethylsilylbutan-2-ol

C15H22FN3OSi — CID 10804679

IUPAC2-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)-1-trimethylsilylbutan-2-ol
SMILESCC(n1cncn1)C(O)(C[Si](C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H22FN3OSi/c1-12(19-11-17-10-18-19)15(20,9-21(2,3)4)13-5-7-14(16)8-6-13/h5-8,10-12,20H,9H2,1-4H3
InChIKeyLYPHSVPYZZKSPW-UHFFFAOYSA-N
MW307.45 g/mol
LogP3.20
Rot. Bonds5

About 2-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)-1-trimethylsilylbutan-2-ol

2-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)-1-trimethylsilylbutan-2-ol (PubChem CID 10804679) has the molecular formula C15H22FN3OSi and a molecular weight of 307.45 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)-1-trimethylsilylbutan-2-ol.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)-1-trimethylsilylbutan-2-ol
PubChem CID10804679
Molecular FormulaC15H22FN3OSi
Molecular Weight307.45 g/mol
Exact Mass307.15
IUPAC Name2-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)-1-trimethylsilylbutan-2-ol
SMILESCC(n1cncn1)C(O)(C[Si](C)(C)C)c1ccc(F)cc1
InChIInChI=1S/C15H22FN3OSi/c1-12(19-11-17-10-18-19)15(20,9-21(2,3)4)13-5-7-14(16)8-6-13/h5-8,10-12,20H,9H2,1-4H3
InChIKeyLYPHSVPYZZKSPW-UHFFFAOYSA-N
XLogP3.20
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.45
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[1-fluoro-1,1-bis(4-fluorophenyl)propan-2-yl]-1,2,4-triazole
CID 70481120
(2S)-2-(4-fluorophenyl)-1-(1,2,4-triazol-1-yl)-3-trimethylsilylpropan-2-ol
CID 66676543
1-fluoro-3-[(4-fluorophenoxy)methyl]-2,2-dimethyl-4-(1,2,4-triazol-1-yl)pentan-3-ol
CID 70521691
1-(4-fluorophenyl)-3,4,4-trimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
CID 12941295
1-[3-[(4-fluorophenoxy)methyl]-3-methoxy-4,4-dimethylpentan-2-yl]-1,2,4-triazole
CID 23042744
1,1-difluoro-2-[4-(4-fluorophenoxy)phenyl]-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 70351077
1-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]butane-2,3-diol
CID 15197548
1-(4-chlorophenyl)-3-[(4-fluorophenoxy)methyl]-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol
CID 23042742
[2-ethyl-1-(4-fluorophenyl)-1-hydroxy-2-(1,2,4-triazol-1-yl)butyl]phosphonic acid
CID 70423511
2-(4-fluorophenyl)-5,5-dimethyl-1-(1,2,4-triazol-1-yl)hexane-2,4-diol
CID 19886505
2-(4-fluorophenyl)-1-imidazol-1-yl-3-methyl-3-(1,2,4-triazol-1-yl)butan-2-ol
CID 15593724
3-(4-fluorophenyl)-2-methyl-4-silyl-2-(1,2,4-triazol-1-yl)pentan-3-ol;oxalic acid
CID 173350686

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)-1-trimethylsilylbutan-2-ol?
The IUPAC name of 2-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)-1-trimethylsilylbutan-2-ol (CID 10804679) is 2-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)-1-trimethylsilylbutan-2-ol.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)-1-trimethylsilylbutan-2-ol?
The canonical SMILES for 2-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)-1-trimethylsilylbutan-2-ol is CC(n1cncn1)C(O)(C[Si](C)(C)C)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)-1-trimethylsilylbutan-2-ol?
The InChIKey is LYPHSVPYZZKSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3OSi/c1-12(19-11-17-10-18-19)15(20,9-21(2,3)4)13-5-7-14(16)8-6-13/h5-8,10-12,20H,9H2,1-4H3.
What are the key properties of 2-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)-1-trimethylsilylbutan-2-ol?
2-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)-1-trimethylsilylbutan-2-ol has a molecular weight of 307.45 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(1,2,4-triazol-1-yl)-1-trimethylsilylbutan-2-ol is sourced from PubChem (CID 10804679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).