1-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-carboxylic acid

C8H7F3N2O2 — CID 82392830

IUPAC1-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-carboxylic acid
SMILESO=C(O)C1CCc2c(C(F)(F)F)ncn21
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)6-4-1-2-5(7(14)15)13(4)3-12-6/h3,5H,1-2H2,(H,14,15)
InChIKeyGLNBQBIMKJUBEF-UHFFFAOYSA-N
MW220.15 g/mol
LogP1.47
Rot. Bonds1

About 1-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-carboxylic acid

1-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-carboxylic acid (PubChem CID 82392830) has the molecular formula C8H7F3N2O2 and a molecular weight of 220.15 g/mol. Its IUPAC name is 1-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-carboxylic acid.

Molecular Properties

Compound Name1-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-carboxylic acid
PubChem CID82392830
Molecular FormulaC8H7F3N2O2
Molecular Weight220.15 g/mol
Exact Mass220.05
IUPAC Name1-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-carboxylic acid
SMILESO=C(O)C1CCc2c(C(F)(F)F)ncn21
InChIInChI=1S/C8H7F3N2O2/c9-8(10,11)6-4-1-2-5(7(14)15)13(4)3-12-6/h3,5H,1-2H2,(H,14,15)
InChIKeyGLNBQBIMKJUBEF-UHFFFAOYSA-N
XLogP1.47
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-carboxylic acid
CID 82401160
2-[1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-6-yl]acetic acid
CID 82383599
1-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylic acid
CID 151869639
tert-butyl 1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine-5-carboxylate
CID 90938529
2-[1-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]ethanamine
CID 82390110
5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxylic acid
CID 68755890
(2S)-5-oxo-1-[6-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carboxylic acid
CID 67456864
N-cycloheptyl-2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetamide
CID 19527311
1-[4-chloro-5-(trifluoromethyl)-2-pyridinyl]-5-oxopyrrolidine-2-carboxylic acid
CID 67775314
5-oxo-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxylic acid
CID 3016456
(2S)-1-[5-bromo-6-(trifluoromethyl)-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122059652
2-(1-propan-2-yl-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl)acetic acid
CID 82395342

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-carboxylic acid?
The IUPAC name of 1-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-carboxylic acid (CID 82392830) is 1-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-carboxylic acid.
What is the SMILES notation for 1-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-carboxylic acid?
The canonical SMILES for 1-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-carboxylic acid is O=C(O)C1CCc2c(C(F)(F)F)ncn21.
What is the InChIKey of 1-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-carboxylic acid?
The InChIKey is GLNBQBIMKJUBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O2/c9-8(10,11)6-4-1-2-5(7(14)15)13(4)3-12-6/h3,5H,1-2H2,(H,14,15).
What are the key properties of 1-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-carboxylic acid?
1-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-carboxylic acid has a molecular weight of 220.15 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-5-carboxylic acid is sourced from PubChem (CID 82392830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).