methyl 3-(6-fluoro-1H-inden-1-yl)propanoate

C13H13FO2 — CID 123428075

IUPACmethyl 3-(6-fluoro-1H-inden-1-yl)propanoate
SMILESCOC(=O)CCC1C=Cc2ccc(F)cc21
InChIInChI=1S/C13H13FO2/c1-16-13(15)7-5-10-3-2-9-4-6-11(14)8-12(9)10/h2-4,6,8,10H,5,7H2,1H3
InChIKeyKFXCCUCYEASROK-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.89
Rot. Bonds3

About methyl 3-(6-fluoro-1H-inden-1-yl)propanoate

methyl 3-(6-fluoro-1H-inden-1-yl)propanoate (PubChem CID 123428075) has the molecular formula C13H13FO2 and a molecular weight of 220.24 g/mol. Its IUPAC name is methyl 3-(6-fluoro-1H-inden-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 3-(6-fluoro-1H-inden-1-yl)propanoate
PubChem CID123428075
Molecular FormulaC13H13FO2
Molecular Weight220.24 g/mol
Exact Mass220.09
IUPAC Namemethyl 3-(6-fluoro-1H-inden-1-yl)propanoate
SMILESCOC(=O)CCC1C=Cc2ccc(F)cc21
InChIInChI=1S/C13H13FO2/c1-16-13(15)7-5-10-3-2-9-4-6-11(14)8-12(9)10/h2-4,6,8,10H,5,7H2,1H3
InChIKeyKFXCCUCYEASROK-UHFFFAOYSA-N
XLogP2.89
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(5-fluoro-1H-inden-1-yl)propanoic acid
CID 139628496
methyl 2-(5-fluoro-2,3-dihydro-1-benzofuran-3-yl)acetate
CID 137332483
methyl 4-(2,4-difluoroanilino)butanoate
CID 43377916
ethyl 7-fluoro-1,2-dihydronaphthalene-1-carboxylate
CID 11127798
methyl 4-(2-chloro-5-fluorophenyl)-4-oxobutanoate
CID 146009733
methyl 3-(2-bromo-4-fluorophenyl)propanoate
CID 12047938
methyl 3-[(4-fluoro-2-hydroxyphenyl)sulfamoyl]propanoate
CID 63675600
methyl 4-(2-chloro-4-fluoroanilino)butanoate
CID 43377980
methyl 3-[(2R,4R)-2-(2,5-difluorophenyl)-4-hydroxypyrrolidin-1-yl]propanoate
CID 97240020
methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 116530837
methyl 4-(2,5-difluoroanilino)butanoate
CID 43377845
dimethyl 2-(2,5-difluorophenyl)-4,6-dimethylcyclohexa-3,6-diene-1,3-dicarboxylate
CID 58270581

Frequently Asked Questions

What is the IUPAC name of methyl 3-(6-fluoro-1H-inden-1-yl)propanoate?
The IUPAC name of methyl 3-(6-fluoro-1H-inden-1-yl)propanoate (CID 123428075) is methyl 3-(6-fluoro-1H-inden-1-yl)propanoate.
What is the SMILES notation for methyl 3-(6-fluoro-1H-inden-1-yl)propanoate?
The canonical SMILES for methyl 3-(6-fluoro-1H-inden-1-yl)propanoate is COC(=O)CCC1C=Cc2ccc(F)cc21.
What is the InChIKey of methyl 3-(6-fluoro-1H-inden-1-yl)propanoate?
The InChIKey is KFXCCUCYEASROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2/c1-16-13(15)7-5-10-3-2-9-4-6-11(14)8-12(9)10/h2-4,6,8,10H,5,7H2,1H3.
What are the key properties of methyl 3-(6-fluoro-1H-inden-1-yl)propanoate?
methyl 3-(6-fluoro-1H-inden-1-yl)propanoate has a molecular weight of 220.24 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(6-fluoro-1H-inden-1-yl)propanoate is sourced from PubChem (CID 123428075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).