2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid

C7H6F3NO2 — CID 174603225

IUPAC2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]cc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)5-3-11-2-4(5)1-6(12)13/h2-3,11H,1H2,(H,12,13)
InChIKeyAXWBBVKYDKHVSA-UHFFFAOYSA-N
MW193.12 g/mol
LogP1.66
Rot. Bonds2

About 2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid

2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid (PubChem CID 174603225) has the molecular formula C7H6F3NO2 and a molecular weight of 193.12 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid
PubChem CID174603225
Molecular FormulaC7H6F3NO2
Molecular Weight193.12 g/mol
Exact Mass193.04
IUPAC Name2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid
SMILESO=C(O)Cc1c[nH]cc1C(F)(F)F
InChIInChI=1S/C7H6F3NO2/c8-7(9,10)5-3-11-2-4(5)1-6(12)13/h2-3,11H,1H2,(H,12,13)
InChIKeyAXWBBVKYDKHVSA-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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Related Compounds

methanol;2-[2-(trifluoromethyl)phenyl]acetic acid
CID 70254547
2-[3,4-bis(trifluoromethyl)phenyl]acetic acid
CID 88925374
2-[2,6-diethyl-4-(trifluoromethyl)phenyl]acetic acid
CID 66707586
2-[3-(trifluoromethyl)-1H-indol-5-yl]acetic acid
CID 82622241
2-[5-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid
CID 84664445
2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid
CID 134663224
2-[4-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetic acid
CID 131472860
2-[2-fluoro-5-methyl-4-(trifluoromethyl)phenyl]acetic acid
CID 66523493
2-[2-bromo-5-fluoro-4-(trifluoromethyl)phenyl]acetic acid
CID 146676121
2-[4-propan-2-yl-3-(trifluoromethyl)phenyl]acetic acid
CID 69474334
N-[2-[3-(trifluoromethyl)phenyl]phenyl]-2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetamide
CID 139919973
2-[3-chloro-4-(trifluoromethyl)phenyl]acetic acid
CID 57367989

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid?
The IUPAC name of 2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid (CID 174603225) is 2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid is O=C(O)Cc1c[nH]cc1C(F)(F)F.
What is the InChIKey of 2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid?
The InChIKey is AXWBBVKYDKHVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO2/c8-7(9,10)5-3-11-2-4(5)1-6(12)13/h2-3,11H,1H2,(H,12,13).
What are the key properties of 2-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid?
2-[4-(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-[4-(trifluoromethyl)-1H-pyrrol-3-yl]acetic acid is sourced from PubChem (CID 174603225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).