5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole

C10H10F6N2S — CID 123214110

IUPAC5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole
SMILESFC(F)(F)C(c1cnc(N2CCCC2)s1)C(F)(F)F
InChIInChI=1S/C10H10F6N2S/c11-9(12,13)7(10(14,15)16)6-5-17-8(19-6)18-3-1-2-4-18/h5,7H,1-4H2
InChIKeyJEHCYTHDJHXUQM-UHFFFAOYSA-N
MW304.26 g/mol
LogP3.95
Rot. Bonds2

About 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole

5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole (PubChem CID 123214110) has the molecular formula C10H10F6N2S and a molecular weight of 304.26 g/mol. Its IUPAC name is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole
PubChem CID123214110
Molecular FormulaC10H10F6N2S
Molecular Weight304.26 g/mol
Exact Mass304.05
IUPAC Name5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole
SMILESFC(F)(F)C(c1cnc(N2CCCC2)s1)C(F)(F)F
InChIInChI=1S/C10H10F6N2S/c11-9(12,13)7(10(14,15)16)6-5-17-8(19-6)18-3-1-2-4-18/h5,7H,1-4H2
InChIKeyJEHCYTHDJHXUQM-UHFFFAOYSA-N
XLogP3.95
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.26
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole?
The IUPAC name of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole (CID 123214110) is 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole.
What is the SMILES notation for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole?
The canonical SMILES for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole is FC(F)(F)C(c1cnc(N2CCCC2)s1)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole?
The InChIKey is JEHCYTHDJHXUQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6N2S/c11-9(12,13)7(10(14,15)16)6-5-17-8(19-6)18-3-1-2-4-18/h5,7H,1-4H2.
What are the key properties of 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole?
5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole has a molecular weight of 304.26 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,3,3,3-hexafluoropropan-2-yl)-2-pyrrolidin-1-yl-1,3-thiazole is sourced from PubChem (CID 123214110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).