4,4,4-trifluoro-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one

C12H17F3N2O2S — CID 124607349

IUPAC4,4,4-trifluoro-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
SMILESO=C([C@@H]1CSCN1C(=O)CCC(F)(F)F)N1CCCC1
InChIInChI=1S/C12H17F3N2O2S/c13-12(14,15)4-3-10(18)17-8-20-7-9(17)11(19)16-5-1-2-6-16/h9H,1-8H2/t9-/m0/s1
InChIKeyWFFCREBTNCUAQN-VIFPVBQESA-N
MW310.34 g/mol
LogP1.85
Rot. Bonds3

About 4,4,4-trifluoro-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one

4,4,4-trifluoro-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one (PubChem CID 124607349) has the molecular formula C12H17F3N2O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
PubChem CID124607349
Molecular FormulaC12H17F3N2O2S
Molecular Weight310.34 g/mol
Exact Mass310.10
IUPAC Name4,4,4-trifluoro-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
SMILESO=C([C@@H]1CSCN1C(=O)CCC(F)(F)F)N1CCCC1
InChIInChI=1S/C12H17F3N2O2S/c13-12(14,15)4-3-10(18)17-8-20-7-9(17)11(19)16-5-1-2-6-16/h9H,1-8H2/t9-/m0/s1
InChIKeyWFFCREBTNCUAQN-VIFPVBQESA-N
XLogP1.85
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one (CID 124607349) is 4,4,4-trifluoro-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one is O=C([C@@H]1CSCN1C(=O)CCC(F)(F)F)N1CCCC1.
What is the InChIKey of 4,4,4-trifluoro-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one?
The InChIKey is WFFCREBTNCUAQN-VIFPVBQESA-N. The full InChI is InChI=1S/C12H17F3N2O2S/c13-12(14,15)4-3-10(18)17-8-20-7-9(17)11(19)16-5-1-2-6-16/h9H,1-8H2/t9-/m0/s1.
What are the key properties of 4,4,4-trifluoro-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one?
4,4,4-trifluoro-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one has a molecular weight of 310.34 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[(4R)-4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one is sourced from PubChem (CID 124607349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).