propan-2-yl 2-(4-fluoroindol-1-yl)acetate

C13H14FNO2 — CID 82793078

IUPACpropan-2-yl 2-(4-fluoroindol-1-yl)acetate
SMILESCC(C)OC(=O)Cn1ccc2c(F)cccc21
InChIInChI=1S/C13H14FNO2/c1-9(2)17-13(16)8-15-7-6-10-11(14)4-3-5-12(10)15/h3-7,9H,8H2,1-2H3
InChIKeyPHHYFQIZESOICE-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.73
Rot. Bonds3

About propan-2-yl 2-(4-fluoroindol-1-yl)acetate

propan-2-yl 2-(4-fluoroindol-1-yl)acetate (PubChem CID 82793078) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is propan-2-yl 2-(4-fluoroindol-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4-fluoroindol-1-yl)acetate
PubChem CID82793078
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Namepropan-2-yl 2-(4-fluoroindol-1-yl)acetate
SMILESCC(C)OC(=O)Cn1ccc2c(F)cccc21
InChIInChI=1S/C13H14FNO2/c1-9(2)17-13(16)8-15-7-6-10-11(14)4-3-5-12(10)15/h3-7,9H,8H2,1-2H3
InChIKeyPHHYFQIZESOICE-UHFFFAOYSA-N
XLogP2.73
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-2-(4-fluoroindol-1-yl)acetamide
CID 82794493
1-(4-fluoroindol-1-yl)-3-(2-fluorophenyl)propan-2-one
CID 82782618
ethyl 2-(4-propan-2-yloxyindol-1-yl)acetate
CID 83162471
N-(2-aminophenyl)-2-(4-fluoroindol-1-yl)acetamide
CID 82782601
1-(3-chlorophenyl)-2-(4-fluoroindol-1-yl)ethanone
CID 82791619
1-(5-chlorothiophen-2-yl)-2-(4-fluoroindol-1-yl)ethanone
CID 82791761
4-fluoro-1-(2-methylpentyl)indole
CID 82793876
N-[2-(4-fluoroindol-1-yl)ethyl]propan-2-amine
CID 82793147
5-(4-fluoroindol-1-yl)pentanoic acid
CID 82792502
ethyl (E)-4-(4-fluoroindol-1-yl)but-2-enoate
CID 82792156
(Z)-2-ethyl-4-(4-fluoroindol-1-yl)but-2-enoic acid
CID 82791576
5-(4-fluoroindol-1-yl)pentan-1-ol
CID 82791901

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4-fluoroindol-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(4-fluoroindol-1-yl)acetate (CID 82793078) is propan-2-yl 2-(4-fluoroindol-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(4-fluoroindol-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(4-fluoroindol-1-yl)acetate is CC(C)OC(=O)Cn1ccc2c(F)cccc21.
What is the InChIKey of propan-2-yl 2-(4-fluoroindol-1-yl)acetate?
The InChIKey is PHHYFQIZESOICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c1-9(2)17-13(16)8-15-7-6-10-11(14)4-3-5-12(10)15/h3-7,9H,8H2,1-2H3.
What are the key properties of propan-2-yl 2-(4-fluoroindol-1-yl)acetate?
propan-2-yl 2-(4-fluoroindol-1-yl)acetate has a molecular weight of 235.26 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4-fluoroindol-1-yl)acetate is sourced from PubChem (CID 82793078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).