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

C10H10F3NO2S — CID 99122917

IUPAC[(3S)-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-/m0/s1
InChIKeyRUZKYKOXIJKXFJ-VIFPVBQESA-N
MW265.26 g/mol
LogP1.89
Rot. Bonds1

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

[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 99122917) has the molecular formula C10H10F3NO2S and a molecular weight of 265.26 g/mol. Its IUPAC name is [(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
PubChem CID99122917
Molecular FormulaC10H10F3NO2S
Molecular Weight265.26 g/mol
Exact Mass265.04
IUPAC Name[(3S)-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-/m0/s1
InChIKeyRUZKYKOXIJKXFJ-VIFPVBQESA-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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Related Compounds

N-(2-hydroxy-2-methyl-4-(methylthio)butyl)thiophene-3-carboxamide
CID 71787267
Pyrrolidin-1-yl(thiophen-3-yl)methanone
CID 12926531
N-[(S)-2-hydroxy-2-methyl-4-(methylthio)butyl]-3-thenamide
CID 95984273
1,1,1-Trifluoro-2-methyl-3-[4-(thiophene-3-carbonyl)-1,4-diazepan-1-yl]propan-2-ol
CID 121536197
N-(thiophen-3-ylmethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 49717002
[3,3-Bis(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 56791908
[3-Hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 60342537
1-(Thiophene-3-carbonyl)-3-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 63708866
[3-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 71980842
N-ethyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78865563
N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78877761
N-butyl-N-(2,2,2-trifluoroethyl)thiophene-3-carboxamide
CID 78883082

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (CID 99122917) is [(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(3S)-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 [(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is RUZKYKOXIJKXFJ-VIFPVBQESA-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-/m0/s1.
What are the key properties of [(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
[(3S)-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 [(3S)-3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 99122917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).