[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone

C10H10F3NO2S — CID 99122916

IUPAC[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC[C@](O)(C(F)(F)F)C1
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)9(16)2-3-14(6-9)8(15)7-1-4-17-5-7/h1,4-5,16H,2-3,6H2/t9-/m1/s1
InChIKeyRUZKYKOXIJKXFJ-SECBINFHSA-N
MW265.26 g/mol
LogP1.89
Rot. Bonds1

About [(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone

[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 99122916) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is [(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
PubChem CID99122916
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC Name[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CC[C@](O)(C(F)(F)F)C1
InChIInChI=1S/C10H10F3NO2S/c11-10(12,13)9(16)2-3-14(6-9)8(15)7-1-4-17-5-7/h1,4-5,16H,2-3,6H2/t9-/m1/s1
InChIKeyRUZKYKOXIJKXFJ-SECBINFHSA-N
XLogP1.89
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (CID 99122916) is [(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CC[C@](O)(C(F)(F)F)C1.
What is the InChIKey of [(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is RUZKYKOXIJKXFJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H10F3NO2S/c11-10(12,13)9(16)2-3-14(6-9)8(15)7-1-4-17-5-7/h1,4-5,16H,2-3,6H2/t9-/m1/s1.
What are the key properties of [(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
[(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 265.26 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 99122916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).