4-(6-fluoro-1H-indol-3-yl)butan-2-one

C12H12FNO — CID 28806457

IUPAC4-(6-fluoro-1H-indol-3-yl)butan-2-one
SMILESCC(=O)CCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C12H12FNO/c1-8(15)2-3-9-7-14-12-6-10(13)4-5-11(9)12/h4-7,14H,2-3H2,1H3
InChIKeyIYGUNWGRIXZEEC-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.83
Rot. Bonds3

About 4-(6-fluoro-1H-indol-3-yl)butan-2-one

4-(6-fluoro-1H-indol-3-yl)butan-2-one (PubChem CID 28806457) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 4-(6-fluoro-1H-indol-3-yl)butan-2-one.

Molecular Properties

Compound Name4-(6-fluoro-1H-indol-3-yl)butan-2-one
PubChem CID28806457
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name4-(6-fluoro-1H-indol-3-yl)butan-2-one
SMILESCC(=O)CCc1c[nH]c2cc(F)ccc12
InChIInChI=1S/C12H12FNO/c1-8(15)2-3-9-7-14-12-6-10(13)4-5-11(9)12/h4-7,14H,2-3H2,1H3
InChIKeyIYGUNWGRIXZEEC-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(6-fluoro-1H-indol-3-yl)ethyl]-2-methylpropanamide
CID 49408649
2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685
1-[2-(6-fluoro-1H-indol-3-yl)ethyl]-3-[2-(6-methyl-1H-indol-3-yl)ethyl]urea
CID 86880994
(2R)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]propanamide
CID 119280010
1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one
CID 71695895
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460
6-fluoro-3-(3-methoxypropyl)-1H-indole
CID 91114487
1-(2-azatricyclo[3.3.1.13,7]decan-2-yl)-3-(6-fluoro-1H-indol-3-yl)propan-1-one;molecular hydrogen
CID 145258256
4-(6-fluoro-2-methyl-1H-indol-3-yl)butan-2-one
CID 82493826
N,N-diethyl-2-(6-fluoro-1H-indol-3-yl)ethanamine;hydrochloride
CID 17370
(2S)-2-amino-N-[2-(6-fluoro-1H-indol-3-yl)ethyl]butanamide;hydrochloride
CID 119280013

Frequently Asked Questions

What is the IUPAC name of 4-(6-fluoro-1H-indol-3-yl)butan-2-one?
The IUPAC name of 4-(6-fluoro-1H-indol-3-yl)butan-2-one (CID 28806457) is 4-(6-fluoro-1H-indol-3-yl)butan-2-one.
What is the SMILES notation for 4-(6-fluoro-1H-indol-3-yl)butan-2-one?
The canonical SMILES for 4-(6-fluoro-1H-indol-3-yl)butan-2-one is CC(=O)CCc1c[nH]c2cc(F)ccc12.
What is the InChIKey of 4-(6-fluoro-1H-indol-3-yl)butan-2-one?
The InChIKey is IYGUNWGRIXZEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c1-8(15)2-3-9-7-14-12-6-10(13)4-5-11(9)12/h4-7,14H,2-3H2,1H3.
What are the key properties of 4-(6-fluoro-1H-indol-3-yl)butan-2-one?
4-(6-fluoro-1H-indol-3-yl)butan-2-one has a molecular weight of 205.23 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoro-1H-indol-3-yl)butan-2-one is sourced from PubChem (CID 28806457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).