3-(2-fluoroethoxy)-1H-pyrrole

C6H8FNO — CID 91585742

IUPAC3-(2-fluoroethoxy)-1H-pyrrole
SMILESFCCOc1cc[nH]c1
InChIInChI=1S/C6H8FNO/c7-2-4-9-6-1-3-8-5-6/h1,3,5,8H,2,4H2
InChIKeyDNIKDUMVOSJTEK-UHFFFAOYSA-N
MW129.13 g/mol
LogP1.36
Rot. Bonds3

About 3-(2-fluoroethoxy)-1H-pyrrole

3-(2-fluoroethoxy)-1H-pyrrole (PubChem CID 91585742) has the molecular formula C6H8FNO and a molecular weight of 129.13 g/mol. Its IUPAC name is 3-(2-fluoroethoxy)-1H-pyrrole.

Molecular Properties

Compound Name3-(2-fluoroethoxy)-1H-pyrrole
PubChem CID91585742
Molecular FormulaC6H8FNO
Molecular Weight129.13 g/mol
Exact Mass129.06
IUPAC Name3-(2-fluoroethoxy)-1H-pyrrole
SMILESFCCOc1cc[nH]c1
InChIInChI=1S/C6H8FNO/c7-2-4-9-6-1-3-8-5-6/h1,3,5,8H,2,4H2
InChIKeyDNIKDUMVOSJTEK-UHFFFAOYSA-N
XLogP1.36
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.13
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroethoxy)-1H-pyrrole?
The IUPAC name of 3-(2-fluoroethoxy)-1H-pyrrole (CID 91585742) is 3-(2-fluoroethoxy)-1H-pyrrole.
What is the SMILES notation for 3-(2-fluoroethoxy)-1H-pyrrole?
The canonical SMILES for 3-(2-fluoroethoxy)-1H-pyrrole is FCCOc1cc[nH]c1.
What is the InChIKey of 3-(2-fluoroethoxy)-1H-pyrrole?
The InChIKey is DNIKDUMVOSJTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8FNO/c7-2-4-9-6-1-3-8-5-6/h1,3,5,8H,2,4H2.
What are the key properties of 3-(2-fluoroethoxy)-1H-pyrrole?
3-(2-fluoroethoxy)-1H-pyrrole has a molecular weight of 129.13 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethoxy)-1H-pyrrole is sourced from PubChem (CID 91585742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).