methyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate

C10H10FNO2 — CID 117110564

IUPACmethyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate
SMILESCOC(=O)c1cccc2c1C(F)CN2
InChIInChI=1S/C10H10FNO2/c1-14-10(13)6-3-2-4-8-9(6)7(11)5-12-8/h2-4,7,12H,5H2,1H3
InChIKeyMULSUUGZZQLUMR-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.91
Rot. Bonds1

About methyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate

methyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate (PubChem CID 117110564) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is methyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate
PubChem CID117110564
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Namemethyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate
SMILESCOC(=O)c1cccc2c1C(F)CN2
InChIInChI=1S/C10H10FNO2/c1-14-10(13)6-3-2-4-8-9(6)7(11)5-12-8/h2-4,7,12H,5H2,1H3
InChIKeyMULSUUGZZQLUMR-UHFFFAOYSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 2-[[2-(2,3-dihydro-1H-indol-3-yl)acetyl]amino]benzoate
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methyl 1-amino-1,2,3,4-tetrahydroisoquinoline-8-carboxylate
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4-methoxy-2,3-dihydro-1H-indole-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate?
The IUPAC name of methyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate (CID 117110564) is methyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate.
What is the SMILES notation for methyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate?
The canonical SMILES for methyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate is COC(=O)c1cccc2c1C(F)CN2.
What is the InChIKey of methyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate?
The InChIKey is MULSUUGZZQLUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-14-10(13)6-3-2-4-8-9(6)7(11)5-12-8/h2-4,7,12H,5H2,1H3.
What are the key properties of methyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate?
methyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate has a molecular weight of 195.19 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-2,3-dihydro-1H-indole-4-carboxylate is sourced from PubChem (CID 117110564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).