2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrrole

C8H11F2NO — CID 174952670

IUPAC2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrrole
SMILESFC(F)COCCc1ccc[nH]1
InChIInChI=1S/C8H11F2NO/c9-8(10)6-12-5-3-7-2-1-4-11-7/h1-2,4,8,11H,3,5-6H2
InChIKeyOBFFFRUFGXIGRA-UHFFFAOYSA-N
MW175.18 g/mol
LogP1.84
Rot. Bonds5

About 2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrrole

2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrrole (PubChem CID 174952670) has the molecular formula C8H11F2NO and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrrole
PubChem CID174952670
Molecular FormulaC8H11F2NO
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrrole
SMILESFC(F)COCCc1ccc[nH]1
InChIInChI=1S/C8H11F2NO/c9-8(10)6-12-5-3-7-2-1-4-11-7/h1-2,4,8,11H,3,5-6H2
InChIKeyOBFFFRUFGXIGRA-UHFFFAOYSA-N
XLogP1.84
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrrole?
The IUPAC name of 2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrrole (CID 174952670) is 2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrrole.
What is the SMILES notation for 2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrrole?
The canonical SMILES for 2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrrole is FC(F)COCCc1ccc[nH]1.
What is the InChIKey of 2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrrole?
The InChIKey is OBFFFRUFGXIGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2NO/c9-8(10)6-12-5-3-7-2-1-4-11-7/h1-2,4,8,11H,3,5-6H2.
What are the key properties of 2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrrole?
2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrrole has a molecular weight of 175.18 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,2-difluoroethoxy)ethyl]-1H-pyrrole is sourced from PubChem (CID 174952670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).