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

C6H8F3NO — CID 566724

IUPAC2,2,2-trifluoro-1-pyrrolidin-1-ylethanone
SMILESO=C(N1CCCC1)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5(11)10-3-1-2-4-10/h1-4H2
InChIKeyYFYRIJLSZRYGEQ-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.17
Rot. Bonds

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

2,2,2-trifluoro-1-pyrrolidin-1-ylethanone (PubChem CID 566724) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-pyrrolidin-1-ylethanone
PubChem CID566724
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name2,2,2-trifluoro-1-pyrrolidin-1-ylethanone
SMILESO=C(N1CCCC1)C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5(11)10-3-1-2-4-10/h1-4H2
InChIKeyYFYRIJLSZRYGEQ-UHFFFAOYSA-N
XLogP1.17
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2,2,2-trifluoro-1-pyrrolidin-1-ylethanone (CID 566724) is 2,2,2-trifluoro-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2,2,2-trifluoro-1-pyrrolidin-1-ylethanone is O=C(N1CCCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-pyrrolidin-1-ylethanone?
The InChIKey is YFYRIJLSZRYGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)5(11)10-3-1-2-4-10/h1-4H2.
What are the key properties of 2,2,2-trifluoro-1-pyrrolidin-1-ylethanone?
2,2,2-trifluoro-1-pyrrolidin-1-ylethanone has a molecular weight of 167.13 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 566724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).