2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxy-1,3-thiazole

C9H11F3N2OS — CID 121183553

IUPAC2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxy-1,3-thiazole
SMILESFC(F)(F)CN1CCC(Oc2nccs2)C1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)6-14-3-1-7(5-14)15-8-13-2-4-16-8/h2,4,7H,1,3,5-6H2
InChIKeyPAHQCICTTVQYNN-UHFFFAOYSA-N
MW252.26 g/mol
LogP2.16
Rot. Bonds3

About 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxy-1,3-thiazole

2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxy-1,3-thiazole (PubChem CID 121183553) has the molecular formula C9H11F3N2OS and a molecular weight of 252.26 g/mol. Its IUPAC name is 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxy-1,3-thiazole.

Molecular Properties

Compound Name2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxy-1,3-thiazole
PubChem CID121183553
Molecular FormulaC9H11F3N2OS
Molecular Weight252.26 g/mol
Exact Mass252.05
IUPAC Name2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxy-1,3-thiazole
SMILESFC(F)(F)CN1CCC(Oc2nccs2)C1
InChIInChI=1S/C9H11F3N2OS/c10-9(11,12)6-14-3-1-7(5-14)15-8-13-2-4-16-8/h2,4,7H,1,3,5-6H2
InChIKeyPAHQCICTTVQYNN-UHFFFAOYSA-N
XLogP2.16
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.26
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(Pyrrolidin-3-yloxy)methyl]-1,3-thiazole
CID 75356563
CID 58450350
CID 58450350
2-[1-(3-Fluoropropyl)azetidin-3-yl]oxy-1,3-thiazole
CID 176014945
2-[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]oxy-1,3-thiazole
CID 176014946
2-((1-(2,2,2-Trifluoroethyl)azetidin-3-yl)oxy)thiazole
CID 121183571
2-[(1,1-Dimethylpyrrolidin-1-ium-3-yl)oxymethyl]-1,3-thiazole
CID 137630848
2-[(4-Fluoropyrrolidin-3-yl)oxy]-1,3-thiazole
CID 168016878
2-(2-Pyrrolidin-1-ylethoxy)-1,3-thiazole
CID 10535971
2-(Pyrrolidin-3-yloxy)-1,3-thiazole
CID 62347812
tert-Butyl 3-(thiazol-2-yloxy)pyrrolidine-1-carboxylate
CID 71629728
2-((1-Isopropylpyrrolidin-3-yl)oxy)thiazole
CID 121183548
2-(Pyrrolidin-1-ylmethoxy)-1,3-thiazole
CID 139682098

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxy-1,3-thiazole?
The IUPAC name of 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxy-1,3-thiazole (CID 121183553) is 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxy-1,3-thiazole.
What is the SMILES notation for 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxy-1,3-thiazole?
The canonical SMILES for 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxy-1,3-thiazole is FC(F)(F)CN1CCC(Oc2nccs2)C1.
What is the InChIKey of 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxy-1,3-thiazole?
The InChIKey is PAHQCICTTVQYNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2OS/c10-9(11,12)6-14-3-1-7(5-14)15-8-13-2-4-16-8/h2,4,7H,1,3,5-6H2.
What are the key properties of 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxy-1,3-thiazole?
2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxy-1,3-thiazole has a molecular weight of 252.26 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]oxy-1,3-thiazole is sourced from PubChem (CID 121183553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).