methyl 5-fluoro-2,3-dihydro-1H-indole-4-carboxylate

C10H10FNO2 — CID 117110540

IUPACmethyl 5-fluoro-2,3-dihydro-1H-indole-4-carboxylate
SMILESCOC(=O)c1c(F)ccc2c1CCN2
InChIInChI=1S/C10H10FNO2/c1-14-10(13)9-6-4-5-12-8(6)3-2-7(9)11/h2-3,12H,4-5H2,1H3
InChIKeySKQACAXLFJEEMJ-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.58
Rot. Bonds1

About methyl 5-fluoro-2,3-dihydro-1H-indole-4-carboxylate

methyl 5-fluoro-2,3-dihydro-1H-indole-4-carboxylate (PubChem CID 117110540) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is methyl 5-fluoro-2,3-dihydro-1H-indole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-2,3-dihydro-1H-indole-4-carboxylate
PubChem CID117110540
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Namemethyl 5-fluoro-2,3-dihydro-1H-indole-4-carboxylate
SMILESCOC(=O)c1c(F)ccc2c1CCN2
InChIInChI=1S/C10H10FNO2/c1-14-10(13)9-6-4-5-12-8(6)3-2-7(9)11/h2-3,12H,4-5H2,1H3
InChIKeySKQACAXLFJEEMJ-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 5-fluoro-2,3-dihydro-1H-indole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-2,3-dihydro-1H-indole-4-carboxylate?
The IUPAC name of methyl 5-fluoro-2,3-dihydro-1H-indole-4-carboxylate (CID 117110540) is methyl 5-fluoro-2,3-dihydro-1H-indole-4-carboxylate.
What is the SMILES notation for methyl 5-fluoro-2,3-dihydro-1H-indole-4-carboxylate?
The canonical SMILES for methyl 5-fluoro-2,3-dihydro-1H-indole-4-carboxylate is COC(=O)c1c(F)ccc2c1CCN2.
What is the InChIKey of methyl 5-fluoro-2,3-dihydro-1H-indole-4-carboxylate?
The InChIKey is SKQACAXLFJEEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-14-10(13)9-6-4-5-12-8(6)3-2-7(9)11/h2-3,12H,4-5H2,1H3.
What are the key properties of methyl 5-fluoro-2,3-dihydro-1H-indole-4-carboxylate?
methyl 5-fluoro-2,3-dihydro-1H-indole-4-carboxylate has a molecular weight of 195.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-2,3-dihydro-1H-indole-4-carboxylate is sourced from PubChem (CID 117110540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).