2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid

C13H14FNO2 — CID 83860165

IUPAC2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid
SMILESCC(C)n1c(CC(=O)O)cc2cc(F)ccc21
InChIInChI=1S/C13H14FNO2/c1-8(2)15-11(7-13(16)17)6-9-5-10(14)3-4-12(9)15/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyVVOMQHZZYQJSFO-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.99
Rot. Bonds3

About 2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid

2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid (PubChem CID 83860165) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid
PubChem CID83860165
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid
SMILESCC(C)n1c(CC(=O)O)cc2cc(F)ccc21
InChIInChI=1S/C13H14FNO2/c1-8(2)15-11(7-13(16)17)6-9-5-10(14)3-4-12(9)15/h3-6,8H,7H2,1-2H3,(H,16,17)
InChIKeyVVOMQHZZYQJSFO-UHFFFAOYSA-N
XLogP2.99
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one
CID 117195257
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
2-(7-hydroxy-1-propan-2-ylindol-2-yl)acetic acid
CID 117197220
5-fluoro-2-(piperazin-1-ylmethyl)-1-propan-2-ylindole
CID 117177164
3-(5-fluoro-1-methylindol-2-yl)-2-methylpropanoic acid
CID 83859983
2-[6-(dimethylamino)-4-oxo-1-propan-2-ylquinolin-2-yl]acetic acid
CID 82250240
methyl 2-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-1-propan-2-ylindole-5-carboxylate
CID 130432663
1-propan-2-yl-2-(propan-2-yloxymethyl)indole-5-carboxylic acid
CID 117177475
2-[(4-fluorophenoxy)methyl]-5-methyl-1-propan-2-ylindole
CID 117185478
2-(6-fluoro-1-propan-2-ylindol-2-yl)propanoic acid
CID 117122852
1-(5-fluoroindol-1-yl)-3-methylbutan-2-one
CID 79395580

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid?
The IUPAC name of 2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid (CID 83860165) is 2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid.
What is the SMILES notation for 2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid?
The canonical SMILES for 2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid is CC(C)n1c(CC(=O)O)cc2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid?
The InChIKey is VVOMQHZZYQJSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-8(2)15-11(7-13(16)17)6-9-5-10(14)3-4-12(9)15/h3-6,8H,7H2,1-2H3,(H,16,17).
What are the key properties of 2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid?
2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid has a molecular weight of 235.26 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid is sourced from PubChem (CID 83860165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).