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

C7H6F3NO2 — CID 84664445

IUPAC2-[5-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c(C(F)(F)F)c1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)5-1-4(3-11-5)2-6(12)13/h1,3,11H,2H2,(H,12,13)
InChIKeyMHUQXGUNBBXCJE-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.66
Rot. Bonds2

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

2-[5-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid (PubChem CID 84664445) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 2-[5-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[5-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid
PubChem CID84664445
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name2-[5-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]c(C(F)(F)F)c1
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)5-1-4(3-11-5)2-6(12)13/h1,3,11H,2H2,(H,12,13)
InChIKeyMHUQXGUNBBXCJE-UHFFFAOYSA-N
XLogP1.66
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.12
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid?
The IUPAC name of 2-[5-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid (CID 84664445) is 2-[5-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid.
What is the SMILES notation for 2-[5-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid?
The canonical SMILES for 2-[5-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid is O=C(O)Cc1c[nH]c(C(F)(F)F)c1.
What is the InChIKey of 2-[5-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid?
The InChIKey is MHUQXGUNBBXCJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c8-7(9,10)5-1-4(3-11-5)2-6(12)13/h1,3,11H,2H2,(H,12,13).
What are the key properties of 2-[5-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid?
2-[5-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid has a molecular weight of 193.12 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid is sourced from PubChem (CID 84664445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).