2-[3-ethyl-2-methyl-5-(trifluoromethyl)indol-3-yl]acetic acid

C14H14F3NO2 — CID 20561373

IUPAC2-[3-ethyl-2-methyl-5-(trifluoromethyl)indol-3-yl]acetic acid
SMILESCCC1(CC(=O)O)C(C)=Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H14F3NO2/c1-3-13(7-12(19)20)8(2)18-11-5-4-9(6-10(11)13)14(15,16)17/h4-6H,3,7H2,1-2H3,(H,19,20)
InChIKeyANNMCQPLAPNXJI-UHFFFAOYSA-N
MW285.26 g/mol
LogP3.93
Rot. Bonds3

About 2-[3-ethyl-2-methyl-5-(trifluoromethyl)indol-3-yl]acetic acid

2-[3-ethyl-2-methyl-5-(trifluoromethyl)indol-3-yl]acetic acid (PubChem CID 20561373) has the molecular formula C14H14F3NO2 and a molecular weight of 285.26 g/mol. Its IUPAC name is 2-[3-ethyl-2-methyl-5-(trifluoromethyl)indol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-ethyl-2-methyl-5-(trifluoromethyl)indol-3-yl]acetic acid
PubChem CID20561373
Molecular FormulaC14H14F3NO2
Molecular Weight285.26 g/mol
Exact Mass285.10
IUPAC Name2-[3-ethyl-2-methyl-5-(trifluoromethyl)indol-3-yl]acetic acid
SMILESCCC1(CC(=O)O)C(C)=Nc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C14H14F3NO2/c1-3-13(7-12(19)20)8(2)18-11-5-4-9(6-10(11)13)14(15,16)17/h4-6H,3,7H2,1-2H3,(H,19,20)
InChIKeyANNMCQPLAPNXJI-UHFFFAOYSA-N
XLogP3.93
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-2-methyl-5-(trifluoromethyl)indol-3-yl]acetic acid?
The IUPAC name of 2-[3-ethyl-2-methyl-5-(trifluoromethyl)indol-3-yl]acetic acid (CID 20561373) is 2-[3-ethyl-2-methyl-5-(trifluoromethyl)indol-3-yl]acetic acid.
What is the SMILES notation for 2-[3-ethyl-2-methyl-5-(trifluoromethyl)indol-3-yl]acetic acid?
The canonical SMILES for 2-[3-ethyl-2-methyl-5-(trifluoromethyl)indol-3-yl]acetic acid is CCC1(CC(=O)O)C(C)=Nc2ccc(C(F)(F)F)cc21.
What is the InChIKey of 2-[3-ethyl-2-methyl-5-(trifluoromethyl)indol-3-yl]acetic acid?
The InChIKey is ANNMCQPLAPNXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO2/c1-3-13(7-12(19)20)8(2)18-11-5-4-9(6-10(11)13)14(15,16)17/h4-6H,3,7H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-ethyl-2-methyl-5-(trifluoromethyl)indol-3-yl]acetic acid?
2-[3-ethyl-2-methyl-5-(trifluoromethyl)indol-3-yl]acetic acid has a molecular weight of 285.26 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-2-methyl-5-(trifluoromethyl)indol-3-yl]acetic acid is sourced from PubChem (CID 20561373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).