3,3,3-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one

C11H12F3NOS — CID 51080962

IUPAC3,3,3-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CC(F)(F)F)N1CCCC1c1ccsc1
InChIInChI=1S/C11H12F3NOS/c12-11(13,14)6-10(16)15-4-1-2-9(15)8-3-5-17-7-8/h3,5,7,9H,1-2,4,6H2
InChIKeyARLSVAWNPAYVQR-UHFFFAOYSA-N
MW263.28 g/mol
LogP3.36
Rot. Bonds2

About 3,3,3-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one

3,3,3-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one (PubChem CID 51080962) has the molecular formula C11H12F3NOS and a molecular weight of 263.28 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
PubChem CID51080962
Molecular FormulaC11H12F3NOS
Molecular Weight263.28 g/mol
Exact Mass263.06
IUPAC Name3,3,3-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CC(F)(F)F)N1CCCC1c1ccsc1
InChIInChI=1S/C11H12F3NOS/c12-11(13,14)6-10(16)15-4-1-2-9(15)8-3-5-17-7-8/h3,5,7,9H,1-2,4,6H2
InChIKeyARLSVAWNPAYVQR-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one (CID 51080962) is 3,3,3-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one is O=C(CC(F)(F)F)N1CCCC1c1ccsc1.
What is the InChIKey of 3,3,3-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one?
The InChIKey is ARLSVAWNPAYVQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NOS/c12-11(13,14)6-10(16)15-4-1-2-9(15)8-3-5-17-7-8/h3,5,7,9H,1-2,4,6H2.
What are the key properties of 3,3,3-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one?
3,3,3-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one has a molecular weight of 263.28 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 51080962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).