3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1H-indole-2-carboxylic acid

C17H24FNO3Si — CID 70285360

IUPAC3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1H-indole-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCCc1c(C(=O)O)[nH]c2ccc(F)cc12
InChIInChI=1S/C17H24FNO3Si/c1-17(2,3)23(4,5)22-9-8-12-13-10-11(18)6-7-14(13)19-15(12)16(20)21/h6-7,10,19H,8-9H2,1-5H3,(H,20,21)
InChIKeyLAEBRQGEESZBLB-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.57
Rot. Bonds5

About 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1H-indole-2-carboxylic acid

3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1H-indole-2-carboxylic acid (PubChem CID 70285360) has the molecular formula C17H24FNO3Si and a molecular weight of 337.47 g/mol. Its IUPAC name is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1H-indole-2-carboxylic acid
PubChem CID70285360
Molecular FormulaC17H24FNO3Si
Molecular Weight337.47 g/mol
Exact Mass337.15
IUPAC Name3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1H-indole-2-carboxylic acid
SMILESCC(C)(C)[Si](C)(C)OCCc1c(C(=O)O)[nH]c2ccc(F)cc12
InChIInChI=1S/C17H24FNO3Si/c1-17(2,3)23(4,5)22-9-8-12-13-10-11(18)6-7-14(13)19-15(12)16(20)21/h6-7,10,19H,8-9H2,1-5H3,(H,20,21)
InChIKeyLAEBRQGEESZBLB-UHFFFAOYSA-N
XLogP4.57
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-(carboxymethyl)-5-fluoro-1H-indole-2-carboxylic acid
CID 18780519
5-fluoro-3-methyl-1H-indole-2-carboxylic acid
CID 1132967
3-(2-aminopropyl)-5-fluoro-1H-indole-2-carboxylic acid
CID 170891713
5-fluoro-3-[[(4-methylbenzoyl)amino]methyl]-1H-indole-2-carboxylic acid
CID 82214080
1-(5-fluoro-3-methyl-1H-indol-2-yl)butan-1-one
CID 162435460
5-[2-[tert-butyl(dimethyl)silyl]oxyethyl]thiophene-2-carboxylic acid
CID 18629051
5-fluoro-3-(3-hydroxypropyl)-1H-indole-2-carboxamide
CID 91076811
ethyl 3-ethyl-5-fluoro-1H-indole-2-carboxylate
CID 18986264
methyl 3-[1-[2-[tert-butyl(dimethyl)silyl]oxyethyl-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]amino]-2,3-dihydro-1H-inden-5-yl]prop-2-enoate
CID 76838925
3-[(cyclobutanecarbonylamino)methyl]-5-fluoro-1H-indole-2-carboxylic acid
CID 82214084
ethane;1-(5-fluoro-3-methyl-1H-indol-2-yl)-3-methylbutan-1-one
CID 162435430
methyl 3,5-difluoro-1H-indole-2-carboxylate
CID 139034030

Frequently Asked Questions

What is the IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1H-indole-2-carboxylic acid?
The IUPAC name of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1H-indole-2-carboxylic acid (CID 70285360) is 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1H-indole-2-carboxylic acid.
What is the SMILES notation for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1H-indole-2-carboxylic acid?
The canonical SMILES for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1H-indole-2-carboxylic acid is CC(C)(C)[Si](C)(C)OCCc1c(C(=O)O)[nH]c2ccc(F)cc12.
What is the InChIKey of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1H-indole-2-carboxylic acid?
The InChIKey is LAEBRQGEESZBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO3Si/c1-17(2,3)23(4,5)22-9-8-12-13-10-11(18)6-7-14(13)19-15(12)16(20)21/h6-7,10,19H,8-9H2,1-5H3,(H,20,21).
What are the key properties of 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1H-indole-2-carboxylic acid?
3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1H-indole-2-carboxylic acid has a molecular weight of 337.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-5-fluoro-1H-indole-2-carboxylic acid is sourced from PubChem (CID 70285360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).