2-(4-fluoro-1H-pyrrol-2-yl)ethyl formate

C7H8FNO2 — CID 174734795

IUPAC2-(4-fluoro-1H-pyrrol-2-yl)ethyl formate
SMILESO=COCCc1cc(F)c[nH]1
InChIInChI=1S/C7H8FNO2/c8-6-3-7(9-4-6)1-2-11-5-10/h3-5,9H,1-2H2
InChIKeyPHLCZGZBXNCXJY-UHFFFAOYSA-N
MW157.14 g/mol
LogP0.87
Rot. Bonds4

About 2-(4-fluoro-1H-pyrrol-2-yl)ethyl formate

2-(4-fluoro-1H-pyrrol-2-yl)ethyl formate (PubChem CID 174734795) has the molecular formula C7H8FNO2 and a molecular weight of 157.14 g/mol. Its IUPAC name is 2-(4-fluoro-1H-pyrrol-2-yl)ethyl formate.

Molecular Properties

Compound Name2-(4-fluoro-1H-pyrrol-2-yl)ethyl formate
PubChem CID174734795
Molecular FormulaC7H8FNO2
Molecular Weight157.14 g/mol
Exact Mass157.05
IUPAC Name2-(4-fluoro-1H-pyrrol-2-yl)ethyl formate
SMILESO=COCCc1cc(F)c[nH]1
InChIInChI=1S/C7H8FNO2/c8-6-3-7(9-4-6)1-2-11-5-10/h3-5,9H,1-2H2
InChIKeyPHLCZGZBXNCXJY-UHFFFAOYSA-N
XLogP0.87
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.14
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-1H-pyrrol-2-yl)ethyl formate?
The IUPAC name of 2-(4-fluoro-1H-pyrrol-2-yl)ethyl formate (CID 174734795) is 2-(4-fluoro-1H-pyrrol-2-yl)ethyl formate.
What is the SMILES notation for 2-(4-fluoro-1H-pyrrol-2-yl)ethyl formate?
The canonical SMILES for 2-(4-fluoro-1H-pyrrol-2-yl)ethyl formate is O=COCCc1cc(F)c[nH]1.
What is the InChIKey of 2-(4-fluoro-1H-pyrrol-2-yl)ethyl formate?
The InChIKey is PHLCZGZBXNCXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO2/c8-6-3-7(9-4-6)1-2-11-5-10/h3-5,9H,1-2H2.
What are the key properties of 2-(4-fluoro-1H-pyrrol-2-yl)ethyl formate?
2-(4-fluoro-1H-pyrrol-2-yl)ethyl formate has a molecular weight of 157.14 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-1H-pyrrol-2-yl)ethyl formate is sourced from PubChem (CID 174734795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).