tert-butyl 6-ethyl-5-fluoroindole-1-carboxylate

C15H18FNO2 — CID 66739076

IUPACtert-butyl 6-ethyl-5-fluoroindole-1-carboxylate
SMILESCCc1cc2c(ccn2C(=O)OC(C)(C)C)cc1F
InChIInChI=1S/C15H18FNO2/c1-5-10-9-13-11(8-12(10)16)6-7-17(13)14(18)19-15(2,3)4/h6-9H,5H2,1-4H3
InChIKeyBOSKXVXMSLBYAL-UHFFFAOYSA-N
MW263.31 g/mol
LogP4.13
Rot. Bonds1

About tert-butyl 6-ethyl-5-fluoroindole-1-carboxylate

tert-butyl 6-ethyl-5-fluoroindole-1-carboxylate (PubChem CID 66739076) has the molecular formula C15H18FNO2 and a molecular weight of 263.31 g/mol. Its IUPAC name is tert-butyl 6-ethyl-5-fluoroindole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-ethyl-5-fluoroindole-1-carboxylate
PubChem CID66739076
Molecular FormulaC15H18FNO2
Molecular Weight263.31 g/mol
Exact Mass263.13
IUPAC Nametert-butyl 6-ethyl-5-fluoroindole-1-carboxylate
SMILESCCc1cc2c(ccn2C(=O)OC(C)(C)C)cc1F
InChIInChI=1S/C15H18FNO2/c1-5-10-9-13-11(8-12(10)16)6-7-17(13)14(18)19-15(2,3)4/h6-9H,5H2,1-4H3
InChIKeyBOSKXVXMSLBYAL-UHFFFAOYSA-N
XLogP4.13
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-ethyl-5-fluoroindole-1-carboxylate?
The IUPAC name of tert-butyl 6-ethyl-5-fluoroindole-1-carboxylate (CID 66739076) is tert-butyl 6-ethyl-5-fluoroindole-1-carboxylate.
What is the SMILES notation for tert-butyl 6-ethyl-5-fluoroindole-1-carboxylate?
The canonical SMILES for tert-butyl 6-ethyl-5-fluoroindole-1-carboxylate is CCc1cc2c(ccn2C(=O)OC(C)(C)C)cc1F.
What is the InChIKey of tert-butyl 6-ethyl-5-fluoroindole-1-carboxylate?
The InChIKey is BOSKXVXMSLBYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO2/c1-5-10-9-13-11(8-12(10)16)6-7-17(13)14(18)19-15(2,3)4/h6-9H,5H2,1-4H3.
What are the key properties of tert-butyl 6-ethyl-5-fluoroindole-1-carboxylate?
tert-butyl 6-ethyl-5-fluoroindole-1-carboxylate has a molecular weight of 263.31 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-ethyl-5-fluoroindole-1-carboxylate is sourced from PubChem (CID 66739076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).