2-[1-(2-fluoroethyl)pyrrol-3-yl]acetic acid

C8H10FNO2 — CID 84654008

IUPAC2-[1-(2-fluoroethyl)pyrrol-3-yl]acetic acid
SMILESO=C(O)Cc1ccn(CCF)c1
InChIInChI=1S/C8H10FNO2/c9-2-4-10-3-1-7(6-10)5-8(11)12/h1,3,6H,2,4-5H2,(H,11,12)
InChIKeyMJUVICDJOFVMIC-UHFFFAOYSA-N
MW171.17 g/mol
LogP1.08
Rot. Bonds4

About 2-[1-(2-fluoroethyl)pyrrol-3-yl]acetic acid

2-[1-(2-fluoroethyl)pyrrol-3-yl]acetic acid (PubChem CID 84654008) has the molecular formula C8H10FNO2 and a molecular weight of 171.17 g/mol. Its IUPAC name is 2-[1-(2-fluoroethyl)pyrrol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2-fluoroethyl)pyrrol-3-yl]acetic acid
PubChem CID84654008
Molecular FormulaC8H10FNO2
Molecular Weight171.17 g/mol
Exact Mass171.07
IUPAC Name2-[1-(2-fluoroethyl)pyrrol-3-yl]acetic acid
SMILESO=C(O)Cc1ccn(CCF)c1
InChIInChI=1S/C8H10FNO2/c9-2-4-10-3-1-7(6-10)5-8(11)12/h1,3,6H,2,4-5H2,(H,11,12)
InChIKeyMJUVICDJOFVMIC-UHFFFAOYSA-N
XLogP1.08
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluoroethyl)pyrrol-3-yl]acetic acid?
The IUPAC name of 2-[1-(2-fluoroethyl)pyrrol-3-yl]acetic acid (CID 84654008) is 2-[1-(2-fluoroethyl)pyrrol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2-fluoroethyl)pyrrol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2-fluoroethyl)pyrrol-3-yl]acetic acid is O=C(O)Cc1ccn(CCF)c1.
What is the InChIKey of 2-[1-(2-fluoroethyl)pyrrol-3-yl]acetic acid?
The InChIKey is MJUVICDJOFVMIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FNO2/c9-2-4-10-3-1-7(6-10)5-8(11)12/h1,3,6H,2,4-5H2,(H,11,12).
What are the key properties of 2-[1-(2-fluoroethyl)pyrrol-3-yl]acetic acid?
2-[1-(2-fluoroethyl)pyrrol-3-yl]acetic acid has a molecular weight of 171.17 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluoroethyl)pyrrol-3-yl]acetic acid is sourced from PubChem (CID 84654008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).