2-(6-fluoro-1-propan-2-ylindol-2-yl)propanoic acid

C14H16FNO2 — CID 117122852

IUPAC2-(6-fluoro-1-propan-2-ylindol-2-yl)propanoic acid
SMILESCC(C(=O)O)c1cc2ccc(F)cc2n1C(C)C
InChIInChI=1S/C14H16FNO2/c1-8(2)16-12(9(3)14(17)18)6-10-4-5-11(15)7-13(10)16/h4-9H,1-3H3,(H,17,18)
InChIKeyXTUFKVLRQGFVPJ-UHFFFAOYSA-N
MW249.28 g/mol
LogP3.55
Rot. Bonds3

About 2-(6-fluoro-1-propan-2-ylindol-2-yl)propanoic acid

2-(6-fluoro-1-propan-2-ylindol-2-yl)propanoic acid (PubChem CID 117122852) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 2-(6-fluoro-1-propan-2-ylindol-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-fluoro-1-propan-2-ylindol-2-yl)propanoic acid
PubChem CID117122852
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name2-(6-fluoro-1-propan-2-ylindol-2-yl)propanoic acid
SMILESCC(C(=O)O)c1cc2ccc(F)cc2n1C(C)C
InChIInChI=1S/C14H16FNO2/c1-8(2)16-12(9(3)14(17)18)6-10-4-5-11(15)7-13(10)16/h4-9H,1-3H3,(H,17,18)
InChIKeyXTUFKVLRQGFVPJ-UHFFFAOYSA-N
XLogP3.55
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-fluoro-1-propan-2-ylindol-2-yl)propan-1-ol
CID 117122777
6-fluoro-1-propan-2-ylindole-2-carbaldehyde
CID 117122831
2-(6-fluoroindol-1-yl)propanoic acid
CID 60758051
3-(1-ethyl-6-fluoroindol-2-yl)-2-methylpropanoic acid
CID 117122874
methyl 1,2-di(propan-2-yl)indole-6-carboxylate
CID 164731183
2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid
CID 83860165
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
2-(6-bromo-1-methylindol-2-yl)propanoic acid
CID 117122840
(2R)-2-(4-fluorophenyl)propanoic acid
CID 7005040
6-fluoro-2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindole
CID 117180623
3,3,3-trifluoro-2-[(6-fluoroindol-1-yl)methyl]propanoic acid
CID 103773362
2-(5-fluoro-2-methyl-1-propan-2-ylindol-3-yl)-2-hydroxyacetic acid
CID 115072997

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-1-propan-2-ylindol-2-yl)propanoic acid?
The IUPAC name of 2-(6-fluoro-1-propan-2-ylindol-2-yl)propanoic acid (CID 117122852) is 2-(6-fluoro-1-propan-2-ylindol-2-yl)propanoic acid.
What is the SMILES notation for 2-(6-fluoro-1-propan-2-ylindol-2-yl)propanoic acid?
The canonical SMILES for 2-(6-fluoro-1-propan-2-ylindol-2-yl)propanoic acid is CC(C(=O)O)c1cc2ccc(F)cc2n1C(C)C.
What is the InChIKey of 2-(6-fluoro-1-propan-2-ylindol-2-yl)propanoic acid?
The InChIKey is XTUFKVLRQGFVPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-8(2)16-12(9(3)14(17)18)6-10-4-5-11(15)7-13(10)16/h4-9H,1-3H3,(H,17,18).
What are the key properties of 2-(6-fluoro-1-propan-2-ylindol-2-yl)propanoic acid?
2-(6-fluoro-1-propan-2-ylindol-2-yl)propanoic acid has a molecular weight of 249.28 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-1-propan-2-ylindol-2-yl)propanoic acid is sourced from PubChem (CID 117122852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).