methyl 1-acetyl-3-fluoroindole-2-carboxylate

C12H10FNO3 — CID 133062838

IUPACmethyl 1-acetyl-3-fluoroindole-2-carboxylate
SMILESCOC(=O)c1c(F)c2ccccc2n1C(C)=O
InChIInChI=1S/C12H10FNO3/c1-7(15)14-9-6-4-3-5-8(9)10(13)11(14)12(16)17-2/h3-6H,1-2H3
InChIKeyIIDPWNYTYIEJSR-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.23
Rot. Bonds1

About methyl 1-acetyl-3-fluoroindole-2-carboxylate

methyl 1-acetyl-3-fluoroindole-2-carboxylate (PubChem CID 133062838) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is methyl 1-acetyl-3-fluoroindole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-acetyl-3-fluoroindole-2-carboxylate
PubChem CID133062838
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Namemethyl 1-acetyl-3-fluoroindole-2-carboxylate
SMILESCOC(=O)c1c(F)c2ccccc2n1C(C)=O
InChIInChI=1S/C12H10FNO3/c1-7(15)14-9-6-4-3-5-8(9)10(13)11(14)12(16)17-2/h3-6H,1-2H3
InChIKeyIIDPWNYTYIEJSR-UHFFFAOYSA-N
XLogP2.23
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-acetyl-3-fluoroindole-1-carboxylate
CID 133054826
1-carbazol-9-ylethanone;ethane
CID 142183368
(1,2-diacetylindol-3-yl) acetate
CID 31196222
tert-butyl 1-acetyl-3-aminoindole-2-carboxylate
CID 19360139
1-carbazol-9-ylethanone;diaziridin-3-one
CID 174714920
methyl 1-methyl-3-sulfinamoylindole-2-carboxylate
CID 1209072
1-(3-carbazol-9-ylcarbazol-9-yl)ethanone
CID 118391781
methyl 1-fluoro-4-oxoquinoline-2-carboxylate
CID 141116592
(1-acetyl-2-methylindol-3-yl) acetate
CID 15565752
1-O-tert-butyl 2-O-methyl 3-(hydroxymethyl)indole-1,2-dicarboxylate
CID 177415354
methyl 1-iodophosphanylindazole-3-carboxylate
CID 171497876
N-(9-acetylcarbazol-3-yl)acetamide
CID 3326945

Frequently Asked Questions

What is the IUPAC name of methyl 1-acetyl-3-fluoroindole-2-carboxylate?
The IUPAC name of methyl 1-acetyl-3-fluoroindole-2-carboxylate (CID 133062838) is methyl 1-acetyl-3-fluoroindole-2-carboxylate.
What is the SMILES notation for methyl 1-acetyl-3-fluoroindole-2-carboxylate?
The canonical SMILES for methyl 1-acetyl-3-fluoroindole-2-carboxylate is COC(=O)c1c(F)c2ccccc2n1C(C)=O.
What is the InChIKey of methyl 1-acetyl-3-fluoroindole-2-carboxylate?
The InChIKey is IIDPWNYTYIEJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-7(15)14-9-6-4-3-5-8(9)10(13)11(14)12(16)17-2/h3-6H,1-2H3.
What are the key properties of methyl 1-acetyl-3-fluoroindole-2-carboxylate?
methyl 1-acetyl-3-fluoroindole-2-carboxylate has a molecular weight of 235.21 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-acetyl-3-fluoroindole-2-carboxylate is sourced from PubChem (CID 133062838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).