3,3,3-trifluoro-1-pyrrolidin-1-ylpropan-1-one

C7H10F3NO — CID 60731327

IUPAC3,3,3-trifluoro-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CC(F)(F)F)N1CCCC1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)5-6(12)11-3-1-2-4-11/h1-5H2
InChIKeyYTYSPGNCXLTZAP-UHFFFAOYSA-N
MW181.16 g/mol
LogP1.56
Rot. Bonds1

About 3,3,3-trifluoro-1-pyrrolidin-1-ylpropan-1-one

3,3,3-trifluoro-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 60731327) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-pyrrolidin-1-ylpropan-1-one
PubChem CID60731327
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name3,3,3-trifluoro-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CC(F)(F)F)N1CCCC1
InChIInChI=1S/C7H10F3NO/c8-7(9,10)5-6(12)11-3-1-2-4-11/h1-5H2
InChIKeyYTYSPGNCXLTZAP-UHFFFAOYSA-N
XLogP1.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-pyrrolidin-1-ylpropan-1-one (CID 60731327) is 3,3,3-trifluoro-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-pyrrolidin-1-ylpropan-1-one is O=C(CC(F)(F)F)N1CCCC1.
What is the InChIKey of 3,3,3-trifluoro-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is YTYSPGNCXLTZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c8-7(9,10)5-6(12)11-3-1-2-4-11/h1-5H2.
What are the key properties of 3,3,3-trifluoro-1-pyrrolidin-1-ylpropan-1-one?
3,3,3-trifluoro-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 181.16 g/mol, XLogP of 1.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 60731327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).