1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]pyrrole

C7H5F6NO — CID 24880294

IUPAC1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]pyrrole
SMILESFC(OC(F)(F)F)C(F)(F)n1cccc1
InChIInChI=1S/C7H5F6NO/c8-5(15-7(11,12)13)6(9,10)14-3-1-2-4-14/h1-5H
InChIKeyVCWPQDCZOGAHDK-UHFFFAOYSA-N
MW233.11 g/mol
LogP2.87
Rot. Bonds3

About 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]pyrrole

1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]pyrrole (PubChem CID 24880294) has the molecular formula C7H5F6NO and a molecular weight of 233.11 g/mol. Its IUPAC name is 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]pyrrole.

Molecular Properties

Compound Name1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]pyrrole
PubChem CID24880294
Molecular FormulaC7H5F6NO
Molecular Weight233.11 g/mol
Exact Mass233.03
IUPAC Name1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]pyrrole
SMILESFC(OC(F)(F)F)C(F)(F)n1cccc1
InChIInChI=1S/C7H5F6NO/c8-5(15-7(11,12)13)6(9,10)14-3-1-2-4-14/h1-5H
InChIKeyVCWPQDCZOGAHDK-UHFFFAOYSA-N
XLogP2.87
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.11
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]pyrrole?
The IUPAC name of 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]pyrrole (CID 24880294) is 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]pyrrole.
What is the SMILES notation for 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]pyrrole?
The canonical SMILES for 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]pyrrole is FC(OC(F)(F)F)C(F)(F)n1cccc1.
What is the InChIKey of 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]pyrrole?
The InChIKey is VCWPQDCZOGAHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F6NO/c8-5(15-7(11,12)13)6(9,10)14-3-1-2-4-14/h1-5H.
What are the key properties of 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]pyrrole?
1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]pyrrole has a molecular weight of 233.11 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1,2-trifluoro-2-(trifluoromethoxy)ethyl]pyrrole is sourced from PubChem (CID 24880294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).