2,2,2-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone

C10H10F3NOS — CID 62491623

IUPAC2,2,2-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
SMILESO=C(N1CCCC1c1ccsc1)C(F)(F)F
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)9(15)14-4-1-2-8(14)7-3-5-16-6-7/h3,5-6,8H,1-2,4H2
InChIKeyBDJLAWYGHBBXRD-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.97
Rot. Bonds1

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

2,2,2-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone (PubChem CID 62491623) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
PubChem CID62491623
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC Name2,2,2-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone
SMILESO=C(N1CCCC1c1ccsc1)C(F)(F)F
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)9(15)14-4-1-2-8(14)7-3-5-16-6-7/h3,5-6,8H,1-2,4H2
InChIKeyBDJLAWYGHBBXRD-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone (CID 62491623) is 2,2,2-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone is O=C(N1CCCC1c1ccsc1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone?
The InChIKey is BDJLAWYGHBBXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NOS/c11-10(12,13)9(15)14-4-1-2-8(14)7-3-5-16-6-7/h3,5-6,8H,1-2,4H2.
What are the key properties of 2,2,2-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone?
2,2,2-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone has a molecular weight of 249.26 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(2-thiophen-3-ylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 62491623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).