1-(4-fluoro-1H-indol-3-yl)butan-1-one

C12H12FNO — CID 82793339

IUPAC1-(4-fluoro-1H-indol-3-yl)butan-1-one
SMILESCCCC(=O)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C12H12FNO/c1-2-4-11(15)8-7-14-10-6-3-5-9(13)12(8)10/h3,5-7,14H,2,4H2,1H3
InChIKeySVTKFVCRUXZBKG-UHFFFAOYSA-N
MW205.23 g/mol
LogP3.29
Rot. Bonds3

About 1-(4-fluoro-1H-indol-3-yl)butan-1-one

1-(4-fluoro-1H-indol-3-yl)butan-1-one (PubChem CID 82793339) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 1-(4-fluoro-1H-indol-3-yl)butan-1-one.

Molecular Properties

Compound Name1-(4-fluoro-1H-indol-3-yl)butan-1-one
PubChem CID82793339
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name1-(4-fluoro-1H-indol-3-yl)butan-1-one
SMILESCCCC(=O)c1c[nH]c2cccc(F)c12
InChIInChI=1S/C12H12FNO/c1-2-4-11(15)8-7-14-10-6-3-5-9(13)12(8)10/h3,5-7,14H,2,4H2,1H3
InChIKeySVTKFVCRUXZBKG-UHFFFAOYSA-N
XLogP3.29
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methoxy-1H-indol-3-yl)butan-1-one
CID 83163491
1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone
CID 82792772
1-(4-methyl-1H-indol-3-yl)pentan-1-one
CID 43163359
2-(3-ethoxycyclobutyl)-1-(4-fluoro-1H-indol-3-yl)ethanone
CID 103162576
2-cyclohexyl-1-(4-fluoro-1H-indol-3-yl)ethanone
CID 82793212
1-(4-fluoro-1H-indol-3-yl)prop-2-en-1-one
CID 103522563
(2-chloro-3-methylphenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791957
1-(4-propan-2-yloxy-1H-indol-3-yl)hexan-1-one
CID 83162556
2-(4-fluoro-1H-indole-3-carbonyl)benzoic acid
CID 82782160
(2-bromo-3-fluorophenyl)-(4-fluoro-1H-indol-3-yl)methanone
CID 82791826
2-(4-fluoro-1H-indol-3-yl)-2-oxo-N,N-bis(trideuteriomethyl)acetamide
CID 156821103
1-(4-fluoro-1H-indol-3-yl)-2-methyl-2-phenylpropan-1-one
CID 82781940

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1H-indol-3-yl)butan-1-one?
The IUPAC name of 1-(4-fluoro-1H-indol-3-yl)butan-1-one (CID 82793339) is 1-(4-fluoro-1H-indol-3-yl)butan-1-one.
What is the SMILES notation for 1-(4-fluoro-1H-indol-3-yl)butan-1-one?
The canonical SMILES for 1-(4-fluoro-1H-indol-3-yl)butan-1-one is CCCC(=O)c1c[nH]c2cccc(F)c12.
What is the InChIKey of 1-(4-fluoro-1H-indol-3-yl)butan-1-one?
The InChIKey is SVTKFVCRUXZBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-2-4-11(15)8-7-14-10-6-3-5-9(13)12(8)10/h3,5-7,14H,2,4H2,1H3.
What are the key properties of 1-(4-fluoro-1H-indol-3-yl)butan-1-one?
1-(4-fluoro-1H-indol-3-yl)butan-1-one has a molecular weight of 205.23 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1H-indol-3-yl)butan-1-one is sourced from PubChem (CID 82793339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).