[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

C9H9F3N2O2S — CID 113240726

IUPAC[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H9F3N2O2S/c10-9(11,12)8(16)1-2-14(4-8)7(15)6-3-17-5-13-6/h3,5,16H,1-2,4H2
InChIKeyGNDUHXIAPJBILP-UHFFFAOYSA-N
MW266.24 g/mol
LogP1.28
Rot. Bonds1

About [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone

[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 113240726) has the molecular formula C9H9F3N2O2S and a molecular weight of 266.24 g/mol. Its IUPAC name is [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID113240726
Molecular FormulaC9H9F3N2O2S
Molecular Weight266.24 g/mol
Exact Mass266.03
IUPAC Name[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESO=C(c1cscn1)N1CCC(O)(C(F)(F)F)C1
InChIInChI=1S/C9H9F3N2O2S/c10-9(11,12)8(16)1-2-14(4-8)7(15)6-3-17-5-13-6/h3,5,16H,1-2,4H2
InChIKeyGNDUHXIAPJBILP-UHFFFAOYSA-N
XLogP1.28
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 113240726) is [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is O=C(c1cscn1)N1CCC(O)(C(F)(F)F)C1.
What is the InChIKey of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is GNDUHXIAPJBILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O2S/c10-9(11,12)8(16)1-2-14(4-8)7(15)6-3-17-5-13-6/h3,5,16H,1-2,4H2.
What are the key properties of [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone?
[3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 266.24 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(trifluoromethyl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 113240726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).