2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid

C11H8F3NO2 — CID 82622241

IUPAC2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2[nH]cc(C(F)(F)F)c2c1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)8-5-15-9-2-1-6(3-7(8)9)4-10(16)17/h1-3,5,15H,4H2,(H,16,17)
InChIKeyKSMSEPSYWUCATC-UHFFFAOYSA-N
MW243.18 g/mol
LogP2.81
Rot. Bonds2

About 2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid

2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid (PubChem CID 82622241) has the molecular formula C11H8F3NO2 and a molecular weight of 243.18 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid
PubChem CID82622241
Molecular FormulaC11H8F3NO2
Molecular Weight243.18 g/mol
Exact Mass243.05
IUPAC Name2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid
SMILESO=C(O)Cc1ccc2[nH]cc(C(F)(F)F)c2c1
InChIInChI=1S/C11H8F3NO2/c12-11(13,14)8-5-15-9-2-1-6(3-7(8)9)4-10(16)17/h1-3,5,15H,4H2,(H,16,17)
InChIKeyKSMSEPSYWUCATC-UHFFFAOYSA-N
XLogP2.81
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid?
The IUPAC name of 2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid (CID 82622241) is 2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid?
The canonical SMILES for 2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid is O=C(O)Cc1ccc2[nH]cc(C(F)(F)F)c2c1.
What is the InChIKey of 2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid?
The InChIKey is KSMSEPSYWUCATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO2/c12-11(13,14)8-5-15-9-2-1-6(3-7(8)9)4-10(16)17/h1-3,5,15H,4H2,(H,16,17).
What are the key properties of 2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid?
2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid has a molecular weight of 243.18 g/mol, XLogP of 2.81, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid is sourced from PubChem (CID 82622241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).