4-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid

C14H11F2NO2 — CID 59180241

IUPAC4-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2c([nH]1)CCC2c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NO2/c15-10-3-1-7(5-11(10)16)8-2-4-12-9(8)6-13(17-12)14(18)19/h1,3,5-6,8,17H,2,4H2,(H,18,19)
InChIKeyQNOITSXTSVCDGH-UHFFFAOYSA-N
MW263.24 g/mol
LogP3.07
Rot. Bonds2

About 4-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid

4-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid (PubChem CID 59180241) has the molecular formula C14H11F2NO2 and a molecular weight of 263.24 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
PubChem CID59180241
Molecular FormulaC14H11F2NO2
Molecular Weight263.24 g/mol
Exact Mass263.08
IUPAC Name4-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc2c([nH]1)CCC2c1ccc(F)c(F)c1
InChIInChI=1S/C14H11F2NO2/c15-10-3-1-7(5-11(10)16)8-2-4-12-9(8)6-13(17-12)14(18)19/h1,3,5-6,8,17H,2,4H2,(H,18,19)
InChIKeyQNOITSXTSVCDGH-UHFFFAOYSA-N
XLogP3.07
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.24
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid?
The IUPAC name of 4-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid (CID 59180241) is 4-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid?
The canonical SMILES for 4-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid is O=C(O)c1cc2c([nH]1)CCC2c1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid?
The InChIKey is QNOITSXTSVCDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NO2/c15-10-3-1-7(5-11(10)16)8-2-4-12-9(8)6-13(17-12)14(18)19/h1,3,5-6,8,17H,2,4H2,(H,18,19).
What are the key properties of 4-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid?
4-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid has a molecular weight of 263.24 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-1,4,5,6-tetrahydrocyclopenta[b]pyrrole-2-carboxylic acid is sourced from PubChem (CID 59180241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).