1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole

C8H10F3NO — CID 63811757

IUPAC1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole
SMILESFC(F)(F)COCCn1cccc1
InChIInChI=1S/C8H10F3NO/c9-8(10,11)7-13-6-5-12-3-1-2-4-12/h1-4H,5-7H2
InChIKeyHBALGYUEFBRSHL-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.07
Rot. Bonds4

About 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole

1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole (PubChem CID 63811757) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole.

Molecular Properties

Compound Name1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole
PubChem CID63811757
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole
SMILESFC(F)(F)COCCn1cccc1
InChIInChI=1S/C8H10F3NO/c9-8(10,11)7-13-6-5-12-3-1-2-4-12/h1-4H,5-7H2
InChIKeyHBALGYUEFBRSHL-UHFFFAOYSA-N
XLogP2.07
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-Hydroxyethyl)pyrrole
CID 10975438
1-(3-Hydroxypropyl)pyrrole
CID 12794991
1-(2-(oxiran-2-yl)ethyl)-1H-pyrrole
CID 13741366
1-(Trifluoroacetyl)pyrrole
CID 23352308
1-(methoxymethyl)-1H-pyrrole
CID 12632246
1-(3-fluoropropyl)-1H-pyrrole
CID 66718297
1-(Fluoromethyl)-1H-pyrrole
CID 14786527
1-(Trifluoromethyl)-1H-pyrrole
CID 18537696
N-hexafluoropropylazole
CID 24880292
N-(1,1,2,2-tetrafluoroethyl)azole
CID 24880293
N-difluoromethylazole
CID 63810483
1-(1-Methoxypropan-2-yl)-1H-pyrrole
CID 5036497

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole?
The IUPAC name of 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole (CID 63811757) is 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole.
What is the SMILES notation for 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole?
The canonical SMILES for 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole is FC(F)(F)COCCn1cccc1.
What is the InChIKey of 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole?
The InChIKey is HBALGYUEFBRSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c9-8(10,11)7-13-6-5-12-3-1-2-4-12/h1-4H,5-7H2.
What are the key properties of 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole?
1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole has a molecular weight of 193.17 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrrole is sourced from PubChem (CID 63811757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).