methyl 1-(4-fluorophenyl)pyrrole-2-carboxylate

C12H10FNO2 — CID 2740902

IUPACmethyl 1-(4-fluorophenyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cccn1-c1ccc(F)cc1
InChIInChI=1S/C12H10FNO2/c1-16-12(15)11-3-2-8-14(11)10-6-4-9(13)5-7-10/h2-8H,1H3
InChIKeyVCKNFLYFRCDYHY-UHFFFAOYSA-N
MW219.21 g/mol
LogP2.40
Rot. Bonds2

About methyl 1-(4-fluorophenyl)pyrrole-2-carboxylate

methyl 1-(4-fluorophenyl)pyrrole-2-carboxylate (PubChem CID 2740902) has the molecular formula C12H10FNO2 and a molecular weight of 219.21 g/mol. Its IUPAC name is methyl 1-(4-fluorophenyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-fluorophenyl)pyrrole-2-carboxylate
PubChem CID2740902
Molecular FormulaC12H10FNO2
Molecular Weight219.21 g/mol
Exact Mass219.07
IUPAC Namemethyl 1-(4-fluorophenyl)pyrrole-2-carboxylate
SMILESCOC(=O)c1cccn1-c1ccc(F)cc1
InChIInChI=1S/C12H10FNO2/c1-16-12(15)11-3-2-8-14(11)10-6-4-9(13)5-7-10/h2-8H,1H3
InChIKeyVCKNFLYFRCDYHY-UHFFFAOYSA-N
XLogP2.40
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.21
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-fluorophenyl)pyrrole-2-carboxylate?
The IUPAC name of methyl 1-(4-fluorophenyl)pyrrole-2-carboxylate (CID 2740902) is methyl 1-(4-fluorophenyl)pyrrole-2-carboxylate.
What is the SMILES notation for methyl 1-(4-fluorophenyl)pyrrole-2-carboxylate?
The canonical SMILES for methyl 1-(4-fluorophenyl)pyrrole-2-carboxylate is COC(=O)c1cccn1-c1ccc(F)cc1.
What is the InChIKey of methyl 1-(4-fluorophenyl)pyrrole-2-carboxylate?
The InChIKey is VCKNFLYFRCDYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO2/c1-16-12(15)11-3-2-8-14(11)10-6-4-9(13)5-7-10/h2-8H,1H3.
What are the key properties of methyl 1-(4-fluorophenyl)pyrrole-2-carboxylate?
methyl 1-(4-fluorophenyl)pyrrole-2-carboxylate has a molecular weight of 219.21 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-fluorophenyl)pyrrole-2-carboxylate is sourced from PubChem (CID 2740902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).