methyl 3-(5-fluoro-1H-indol-2-yl)propanoate

C12H12FNO2 — CID 68676585

IUPACmethyl 3-(5-fluoro-1H-indol-2-yl)propanoate
SMILESCOC(=O)CCc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C12H12FNO2/c1-16-12(15)5-3-10-7-8-6-9(13)2-4-11(8)14-10/h2,4,6-7,14H,3,5H2,1H3
InChIKeyGYFYRRCDQDDGQE-UHFFFAOYSA-N
MW221.23 g/mol
LogP2.41
Rot. Bonds3

About methyl 3-(5-fluoro-1H-indol-2-yl)propanoate

methyl 3-(5-fluoro-1H-indol-2-yl)propanoate (PubChem CID 68676585) has the molecular formula C12H12FNO2 and a molecular weight of 221.23 g/mol. Its IUPAC name is methyl 3-(5-fluoro-1H-indol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-fluoro-1H-indol-2-yl)propanoate
PubChem CID68676585
Molecular FormulaC12H12FNO2
Molecular Weight221.23 g/mol
Exact Mass221.09
IUPAC Namemethyl 3-(5-fluoro-1H-indol-2-yl)propanoate
SMILESCOC(=O)CCc1cc2cc(F)ccc2[nH]1
InChIInChI=1S/C12H12FNO2/c1-16-12(15)5-3-10-7-8-6-9(13)2-4-11(8)14-10/h2,4,6-7,14H,3,5H2,1H3
InChIKeyGYFYRRCDQDDGQE-UHFFFAOYSA-N
XLogP2.41
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-1H-indol-2-yl)-N-methylethanamine
CID 82604676
3-(5-methoxy-1H-indol-2-yl)propanoic acid
CID 18987712
5-fluoro-2-(2-methylpropyl)-1H-indole
CID 177351441
1-(5-fluoro-1H-indol-2-yl)-N-methylmethanamine;methanesulfonic acid
CID 53398780
3-(5-fluoro-1H-indol-2-yl)-2,2-dimethylpropanoic acid
CID 117195248
methyl 3-[5-[[4-cyclopentyl-3-(trifluoromethyl)phenyl]methoxy]-1H-indol-2-yl]propanoate
CID 146663432
1-(5-fluoro-1H-indol-2-yl)-2-methylpropan-2-ol
CID 117195228
1-(5-fluoro-1H-indol-2-yl)propan-2-amine
CID 10058400
methyl 6-fluoro-3-(3-methoxy-3-oxopropyl)-1H-indole-2-carboxylate
CID 175775823
methyl 3-[4-(4-fluorophenyl)phenyl]propanoate
CID 67181950
methyl 3-(2-bromo-4-fluorophenyl)propanoate
CID 12047938
methyl 2-(5-fluoro-1H-indol-2-yl)-2-hydroxyacetate
CID 115072028

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-fluoro-1H-indol-2-yl)propanoate?
The IUPAC name of methyl 3-(5-fluoro-1H-indol-2-yl)propanoate (CID 68676585) is methyl 3-(5-fluoro-1H-indol-2-yl)propanoate.
What is the SMILES notation for methyl 3-(5-fluoro-1H-indol-2-yl)propanoate?
The canonical SMILES for methyl 3-(5-fluoro-1H-indol-2-yl)propanoate is COC(=O)CCc1cc2cc(F)ccc2[nH]1.
What is the InChIKey of methyl 3-(5-fluoro-1H-indol-2-yl)propanoate?
The InChIKey is GYFYRRCDQDDGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO2/c1-16-12(15)5-3-10-7-8-6-9(13)2-4-11(8)14-10/h2,4,6-7,14H,3,5H2,1H3.
What are the key properties of methyl 3-(5-fluoro-1H-indol-2-yl)propanoate?
methyl 3-(5-fluoro-1H-indol-2-yl)propanoate has a molecular weight of 221.23 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-fluoro-1H-indol-2-yl)propanoate is sourced from PubChem (CID 68676585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).