[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(trifluoromethyl)pyrrol-3-yl]methanol

C14H24F3NO2Si — CID 140747661

IUPAC[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(trifluoromethyl)pyrrol-3-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C14H24F3NO2Si/c1-13(2,3)21(4,5)20-7-6-18-8-11(10-19)12(9-18)14(15,16)17/h8-9,19H,6-7,10H2,1-5H3
InChIKeyKJZDXPRVOHCEKX-UHFFFAOYSA-N
MW323.43 g/mol
LogP4.02
Rot. Bonds5

About [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(trifluoromethyl)pyrrol-3-yl]methanol

[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(trifluoromethyl)pyrrol-3-yl]methanol (PubChem CID 140747661) has the molecular formula C14H24F3NO2Si and a molecular weight of 323.43 g/mol. Its IUPAC name is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(trifluoromethyl)pyrrol-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(trifluoromethyl)pyrrol-3-yl]methanol
PubChem CID140747661
Molecular FormulaC14H24F3NO2Si
Molecular Weight323.43 g/mol
Exact Mass323.15
IUPAC Name[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(trifluoromethyl)pyrrol-3-yl]methanol
SMILESCC(C)(C)[Si](C)(C)OCCn1cc(CO)c(C(F)(F)F)c1
InChIInChI=1S/C14H24F3NO2Si/c1-13(2,3)21(4,5)20-7-6-18-8-11(10-19)12(9-18)14(15,16)17/h8-9,19H,6-7,10H2,1-5H3
InChIKeyKJZDXPRVOHCEKX-UHFFFAOYSA-N
XLogP4.02
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.43
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(trifluoromethyl)pyrrol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(trifluoromethyl)pyrrol-3-yl]methanol?
The IUPAC name of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(trifluoromethyl)pyrrol-3-yl]methanol (CID 140747661) is [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(trifluoromethyl)pyrrol-3-yl]methanol.
What is the SMILES notation for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(trifluoromethyl)pyrrol-3-yl]methanol?
The canonical SMILES for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(trifluoromethyl)pyrrol-3-yl]methanol is CC(C)(C)[Si](C)(C)OCCn1cc(CO)c(C(F)(F)F)c1.
What is the InChIKey of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(trifluoromethyl)pyrrol-3-yl]methanol?
The InChIKey is KJZDXPRVOHCEKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO2Si/c1-13(2,3)21(4,5)20-7-6-18-8-11(10-19)12(9-18)14(15,16)17/h8-9,19H,6-7,10H2,1-5H3.
What are the key properties of [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(trifluoromethyl)pyrrol-3-yl]methanol?
[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(trifluoromethyl)pyrrol-3-yl]methanol has a molecular weight of 323.43 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-4-(trifluoromethyl)pyrrol-3-yl]methanol is sourced from PubChem (CID 140747661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).