ethyl 4-fluoro-1-methylindole-2-carboxylate

C12H12FNO2 — CID 171397337

IUPACethyl 4-fluoro-1-methylindole-2-carboxylate
SMILESCCOC(=O)c1cc2c(F)cccc2n1C
InChIInChI=1S/C12H12FNO2/c1-3-16-12(15)11-7-8-9(13)5-4-6-10(8)14(11)2/h4-7H,3H2,1-2H3
InChIKeyUIPILCBCSQGOHU-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.49
Rot. Bonds2

About ethyl 4-fluoro-1-methylindole-2-carboxylate

ethyl 4-fluoro-1-methylindole-2-carboxylate (PubChem CID 171397337) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is ethyl 4-fluoro-1-methylindole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-fluoro-1-methylindole-2-carboxylate
PubChem CID171397337
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Nameethyl 4-fluoro-1-methylindole-2-carboxylate
SMILESCCOC(=O)c1cc2c(F)cccc2n1C
InChIInChI=1S/C12H12FNO2/c1-3-16-12(15)11-7-8-9(13)5-4-6-10(8)14(11)2/h4-7H,3H2,1-2H3
InChIKeyUIPILCBCSQGOHU-UHFFFAOYSA-N
XLogP2.49
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-O-tert-butyl 2-O-ethyl 4-fluoroindole-1,2-dicarboxylate
CID 58941047
ethyl 5-fluoro-1-methylindole-2-carboxylate
CID 10775338
2-[(4-fluoro-1-methylindole-2-carbonyl)-methylamino]acetic acid
CID 110835783
N-(1-amino-2-methylpropan-2-yl)-4-fluoro-1-methylindole-2-carboxamide
CID 110833500
ethyl 4-fluoro-1-methylbenzimidazole-2-carboxylate
CID 63357720
ethyl 2-[1-methyl-4-(trifluoromethyl)indol-2-yl]-2-oxoacetate
CID 115072489
ethyl 1-(3,5-difluorophenyl)indole-4-carboxylate
CID 178035431
ethyl 2,6-difluorobenzoate
CID 519631
ethyl 4-fluoroindole-1-carboxylate
CID 137467243
ethyl 2,3-difluorobenzoate
CID 2761174
ethyl 2-fluoro-4-(10-methyl-9-oxoacridin-3-yl)benzoate
CID 24792645
ethyl 2-(difluoromethoxy)-3-fluorobenzoate
CID 170997086

Frequently Asked Questions

What is the IUPAC name of ethyl 4-fluoro-1-methylindole-2-carboxylate?
The IUPAC name of ethyl 4-fluoro-1-methylindole-2-carboxylate (CID 171397337) is ethyl 4-fluoro-1-methylindole-2-carboxylate.
What is the SMILES notation for ethyl 4-fluoro-1-methylindole-2-carboxylate?
The canonical SMILES for ethyl 4-fluoro-1-methylindole-2-carboxylate is CCOC(=O)c1cc2c(F)cccc2n1C.
What is the InChIKey of ethyl 4-fluoro-1-methylindole-2-carboxylate?
The InChIKey is UIPILCBCSQGOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-3-16-12(15)11-7-8-9(13)5-4-6-10(8)14(11)2/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 4-fluoro-1-methylindole-2-carboxylate?
ethyl 4-fluoro-1-methylindole-2-carboxylate has a molecular weight of 221.23 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-fluoro-1-methylindole-2-carboxylate is sourced from PubChem (CID 171397337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).