ethyl formate;2-fluoro-1H-pyrrole

C7H10FNO2 — CID 174734969

IUPACethyl formate;2-fluoro-1H-pyrrole
SMILESCCOC=O.Fc1ccc[nH]1
InChIInChI=1S/C4H4FN.C3H6O2/c5-4-2-1-3-6-4;1-2-5-3-4/h1-3,6H;3H,2H2,1H3
InChIKeyUUTYAOSRVDDPCU-UHFFFAOYSA-N
MW159.16 g/mol
LogP1.33
Rot. Bonds2

About ethyl formate;2-fluoro-1H-pyrrole

ethyl formate;2-fluoro-1H-pyrrole (PubChem CID 174734969) has the molecular formula C7H10FNO2 and a molecular weight of 159.16 g/mol. Its IUPAC name is ethyl formate;2-fluoro-1H-pyrrole.

Molecular Properties

Compound Nameethyl formate;2-fluoro-1H-pyrrole
PubChem CID174734969
Molecular FormulaC7H10FNO2
Molecular Weight159.16 g/mol
Exact Mass159.07
IUPAC Nameethyl formate;2-fluoro-1H-pyrrole
SMILESCCOC=O.Fc1ccc[nH]1
InChIInChI=1S/C4H4FN.C3H6O2/c5-4-2-1-3-6-4;1-2-5-3-4/h1-3,6H;3H,2H2,1H3
InChIKeyUUTYAOSRVDDPCU-UHFFFAOYSA-N
XLogP1.33
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.16
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl formate;2-fluoro-1H-pyrrole?
The IUPAC name of ethyl formate;2-fluoro-1H-pyrrole (CID 174734969) is ethyl formate;2-fluoro-1H-pyrrole.
What is the SMILES notation for ethyl formate;2-fluoro-1H-pyrrole?
The canonical SMILES for ethyl formate;2-fluoro-1H-pyrrole is CCOC=O.Fc1ccc[nH]1.
What is the InChIKey of ethyl formate;2-fluoro-1H-pyrrole?
The InChIKey is UUTYAOSRVDDPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4FN.C3H6O2/c5-4-2-1-3-6-4;1-2-5-3-4/h1-3,6H;3H,2H2,1H3.
What are the key properties of ethyl formate;2-fluoro-1H-pyrrole?
ethyl formate;2-fluoro-1H-pyrrole has a molecular weight of 159.16 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;2-fluoro-1H-pyrrole is sourced from PubChem (CID 174734969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).