2,3,3,3-tetrafluoro-1-pyrrolidin-1-ylpropan-1-one

C7H9F4NO — CID 45080941

IUPAC2,3,3,3-tetrafluoro-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(C(F)C(F)(F)F)N1CCCC1
InChIInChI=1S/C7H9F4NO/c8-5(7(9,10)11)6(13)12-3-1-2-4-12/h5H,1-4H2
InChIKeyTYPYDTJSIBTPLH-UHFFFAOYSA-N
MW199.15 g/mol
LogP1.51
Rot. Bonds1

About 2,3,3,3-tetrafluoro-1-pyrrolidin-1-ylpropan-1-one

2,3,3,3-tetrafluoro-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 45080941) has the molecular formula C7H9F4NO and a molecular weight of 199.15 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-1-pyrrolidin-1-ylpropan-1-one
PubChem CID45080941
Molecular FormulaC7H9F4NO
Molecular Weight199.15 g/mol
Exact Mass199.06
IUPAC Name2,3,3,3-tetrafluoro-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(C(F)C(F)(F)F)N1CCCC1
InChIInChI=1S/C7H9F4NO/c8-5(7(9,10)11)6(13)12-3-1-2-4-12/h5H,1-4H2
InChIKeyTYPYDTJSIBTPLH-UHFFFAOYSA-N
XLogP1.51
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.15
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2,3,3,3-tetrafluoro-1-pyrrolidin-1-ylpropan-1-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2,3,3,3-tetrafluoro-1-pyrrolidin-1-ylpropan-1-one (CID 45080941) is 2,3,3,3-tetrafluoro-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2,3,3,3-tetrafluoro-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2,3,3,3-tetrafluoro-1-pyrrolidin-1-ylpropan-1-one is O=C(C(F)C(F)(F)F)N1CCCC1.
What is the InChIKey of 2,3,3,3-tetrafluoro-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is TYPYDTJSIBTPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F4NO/c8-5(7(9,10)11)6(13)12-3-1-2-4-12/h5H,1-4H2.
What are the key properties of 2,3,3,3-tetrafluoro-1-pyrrolidin-1-ylpropan-1-one?
2,3,3,3-tetrafluoro-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 199.15 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 45080941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).