2,2,2-trifluoro-1-pyrrolidin-2-ylethanone

C6H8F3NO — CID 22150430

IUPAC2,2,2-trifluoro-1-pyrrolidin-2-ylethanone
SMILESO=C(C1CCCN1)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h4,10H,1-3H2
InChIKeyRADLWLGXRWWBBG-UHFFFAOYSA-N
MW167.13 g/mol
LogP0.87
Rot. Bonds1

About 2,2,2-trifluoro-1-pyrrolidin-2-ylethanone

2,2,2-trifluoro-1-pyrrolidin-2-ylethanone (PubChem CID 22150430) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-pyrrolidin-2-ylethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-pyrrolidin-2-ylethanone
PubChem CID22150430
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name2,2,2-trifluoro-1-pyrrolidin-2-ylethanone
SMILESO=C(C1CCCN1)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h4,10H,1-3H2
InChIKeyRADLWLGXRWWBBG-UHFFFAOYSA-N
XLogP0.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-pyrrolidin-2-ylethanone?
The IUPAC name of 2,2,2-trifluoro-1-pyrrolidin-2-ylethanone (CID 22150430) is 2,2,2-trifluoro-1-pyrrolidin-2-ylethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-pyrrolidin-2-ylethanone?
The canonical SMILES for 2,2,2-trifluoro-1-pyrrolidin-2-ylethanone is O=C(C1CCCN1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-pyrrolidin-2-ylethanone?
The InChIKey is RADLWLGXRWWBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)5(11)4-2-1-3-10-4/h4,10H,1-3H2.
What are the key properties of 2,2,2-trifluoro-1-pyrrolidin-2-ylethanone?
2,2,2-trifluoro-1-pyrrolidin-2-ylethanone has a molecular weight of 167.13 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-pyrrolidin-2-ylethanone is sourced from PubChem (CID 22150430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).