1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one

C14H16FNO — CID 117195257

IUPAC1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one
SMILESCC(=O)Cc1cc2cc(F)ccc2n1C(C)C
InChIInChI=1S/C14H16FNO/c1-9(2)16-13(6-10(3)17)8-11-7-12(15)4-5-14(11)16/h4-5,7-9H,6H2,1-3H3
InChIKeySOAIGWCWDNZXDP-UHFFFAOYSA-N
MW233.29 g/mol
LogP3.49
Rot. Bonds3

About 1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one

1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one (PubChem CID 117195257) has the molecular formula C14H16FNO and a molecular weight of 233.29 g/mol. Its IUPAC name is 1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one.

Molecular Properties

Compound Name1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one
PubChem CID117195257
Molecular FormulaC14H16FNO
Molecular Weight233.29 g/mol
Exact Mass233.12
IUPAC Name1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one
SMILESCC(=O)Cc1cc2cc(F)ccc2n1C(C)C
InChIInChI=1S/C14H16FNO/c1-9(2)16-13(6-10(3)17)8-11-7-12(15)4-5-14(11)16/h4-5,7-9H,6H2,1-3H3
InChIKeySOAIGWCWDNZXDP-UHFFFAOYSA-N
XLogP3.49
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.29
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid
CID 83860165
1-(6-hydroxy-1-propan-2-ylindol-2-yl)propan-2-one
CID 117196062
1-[1-propan-2-yl-6-(trifluoromethyl)indol-2-yl]propan-2-one
CID 117195786
2-(5-chloro-1-propan-2-ylindol-2-yl)acetic acid
CID 117121626
5-fluoro-2-(piperidin-1-ylmethyl)-1-propan-2-ylindole
CID 117177142
5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117177164
methyl 2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylindole-5-carboxylate
CID 130432663
3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid
CID 83859983
2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole
CID 117185478
1-(5-fluoroindol-1-yl)-3-methylbutan-2-one
CID 79395580
1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
CID 83857937
(5-amino-1-propan-2-ylindol-2-yl)methanol
CID 117177413

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one?
The IUPAC name of 1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one (CID 117195257) is 1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one.
What is the SMILES notation for 1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one?
The canonical SMILES for 1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one is CC(=O)Cc1cc2cc(F)ccc2n1C(C)C.
What is the InChIKey of 1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one?
The InChIKey is SOAIGWCWDNZXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO/c1-9(2)16-13(6-10(3)17)8-11-7-12(15)4-5-14(11)16/h4-5,7-9H,6H2,1-3H3.
What are the key properties of 1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one?
1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one has a molecular weight of 233.29 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one is sourced from PubChem (CID 117195257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).