3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid

C11H10FNO2 — CID 151683948

IUPAC3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid
SMILESO=C(O)N1CC=C(c2ccccc2F)C1
InChIInChI=1S/C11H10FNO2/c12-10-4-2-1-3-9(10)8-5-6-13(7-8)11(14)15/h1-5H,6-7H2,(H,14,15)
InChIKeyRBCZGIHPQLWUQZ-UHFFFAOYSA-N
MW207.20 g/mol
LogP2.20
Rot. Bonds1

About 3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid

3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid (PubChem CID 151683948) has the molecular formula C11H10FNO2 and a molecular weight of 207.20 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid
PubChem CID151683948
Molecular FormulaC11H10FNO2
Molecular Weight207.20 g/mol
Exact Mass207.07
IUPAC Name3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid
SMILESO=C(O)N1CC=C(c2ccccc2F)C1
InChIInChI=1S/C11H10FNO2/c12-10-4-2-1-3-9(10)8-5-6-13(7-8)11(14)15/h1-5H,6-7H2,(H,14,15)
InChIKeyRBCZGIHPQLWUQZ-UHFFFAOYSA-N
XLogP2.20
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.20
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Phenethylcarbamic Acid
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1-(2-(2-Fluorophenyl)ethyl)-1H-pyrrole-2,5-dione
CID 12164214
3-(4-Fluorophenyl)-1-methyl-2,5-dihydropyrrole;oxalic acid
CID 44579362
methyl N-[(4-fluorophenyl)methyl]-N-methylcarbamate
CID 115575391
1-[2-(4-fluorophenyl)ethyl]-2,5-dihydro-1H-pyrrole-2,5-dione
CID 12164213
methyl N-[2-(2-fluorophenyl)ethyl]-N-methylcarbamate
CID 85816807
methyl N-[2-(3-fluorophenyl)ethyl]-N-methylcarbamate
CID 115190841
tert-butyl (2S)-2-(4-fluorophenyl)-2,5-dihydropyrrole-1-carboxylate
CID 121333367
1,1-Dimethylethyl 4-(4-fluorophenyl)-3,6-dihydro-1(2H)-pyridinecarboxylate
CID 15751426
Ethyl 7-(4-fluorophenyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate
CID 156904930

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid?
The IUPAC name of 3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid (CID 151683948) is 3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid.
What is the SMILES notation for 3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid?
The canonical SMILES for 3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid is O=C(O)N1CC=C(c2ccccc2F)C1.
What is the InChIKey of 3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid?
The InChIKey is RBCZGIHPQLWUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO2/c12-10-4-2-1-3-9(10)8-5-6-13(7-8)11(14)15/h1-5H,6-7H2,(H,14,15).
What are the key properties of 3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid?
3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid has a molecular weight of 207.20 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2,5-dihydropyrrole-1-carboxylic acid is sourced from PubChem (CID 151683948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).