1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one

C13H14FNO — CID 107431840

IUPAC1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one
SMILESCCC(=O)c1c(CC)[nH]c2c(F)cccc12
InChIInChI=1S/C13H14FNO/c1-3-10-12(11(16)4-2)8-6-5-7-9(14)13(8)15-10/h5-7,15H,3-4H2,1-2H3
InChIKeyGOLLDGMXKBTKKX-UHFFFAOYSA-N
MW219.26 g/mol
LogP3.46
Rot. Bonds3

About 1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one

1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one (PubChem CID 107431840) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one
PubChem CID107431840
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one
SMILESCCC(=O)c1c(CC)[nH]c2c(F)cccc12
InChIInChI=1S/C13H14FNO/c1-3-10-12(11(16)4-2)8-6-5-7-9(14)13(8)15-10/h5-7,15H,3-4H2,1-2H3
InChIKeyGOLLDGMXKBTKKX-UHFFFAOYSA-N
XLogP3.46
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

2-ethyl-7-fluoro-1H-indole-3-carboxylic acid
CID 84674927
1-(2-ethyl-6-fluorophenyl)propan-1-one
CID 118835757
3-amino-1-(7-fluoro-2-methyl-1H-indol-3-yl)propan-1-one
CID 96788078
7-fluoro-2-methyl-1H-indole-3-carboxylic acid
CID 65335195
3-ethyl-7-fluoro-1H-indole-2-carboxylic acid
CID 84620839
1-ethyl-8-fluoro-2,9-dihydropyrido[3,4-b]indol-3-one
CID 115037629
1-(2-amino-6-fluorophenyl)propan-1-one
CID 14773127
ethane;1-(2-fluoro-6-hydroxyphenyl)propan-1-one
CID 161428232
1-(2-ethyl-4,5,6-trifluoro-1H-indol-3-yl)propan-1-one
CID 107431853
ethyl 7-fluoro-3-formyl-1H-indole-2-carboxylate
CID 4580008
7-fluoro-N-[(4-fluorophenyl)methyl]-2-methyl-1H-indole-3-carboxamide
CID 110851268
1-(2-ethyl-3-fluorophenyl)propan-1-one
CID 118801897

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one?
The IUPAC name of 1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one (CID 107431840) is 1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one.
What is the SMILES notation for 1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one?
The canonical SMILES for 1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one is CCC(=O)c1c(CC)[nH]c2c(F)cccc12.
What is the InChIKey of 1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one?
The InChIKey is GOLLDGMXKBTKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-3-10-12(11(16)4-2)8-6-5-7-9(14)13(8)15-10/h5-7,15H,3-4H2,1-2H3.
What are the key properties of 1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one?
1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one has a molecular weight of 219.26 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethyl-7-fluoro-1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 107431840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).