5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyrrolidin-1-yl-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,3-thiazole

C14H10F14N2S — CID 56949852

IUPAC5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyrrolidin-1-yl-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,3-thiazole
SMILESFC(F)(F)C(F)(Cc1nc(N2CCCC2)sc1C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H10F14N2S/c15-9(11(17,18)19,12(20,21)22)5-6-7(10(16,13(23,24)25)14(26,27)28)31-8(29-6)30-3-1-2-4-30/h1-5H2
InChIKeyDLXKCEMHMSOJSR-UHFFFAOYSA-N
MW504.29 g/mol
LogP6.41
Rot. Bonds4

About 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyrrolidin-1-yl-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,3-thiazole

5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyrrolidin-1-yl-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,3-thiazole (PubChem CID 56949852) has the molecular formula C14H10F14N2S and a molecular weight of 504.29 g/mol. Its IUPAC name is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyrrolidin-1-yl-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,3-thiazole.

Molecular Properties

Compound Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyrrolidin-1-yl-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,3-thiazole
PubChem CID56949852
Molecular FormulaC14H10F14N2S
Molecular Weight504.29 g/mol
Exact Mass504.03
IUPAC Name5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyrrolidin-1-yl-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,3-thiazole
SMILESFC(F)(F)C(F)(Cc1nc(N2CCCC2)sc1C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H10F14N2S/c15-9(11(17,18)19,12(20,21)22)5-6-7(10(16,13(23,24)25)14(26,27)28)31-8(29-6)30-3-1-2-4-30/h1-5H2
InChIKeyDLXKCEMHMSOJSR-UHFFFAOYSA-N
XLogP6.41
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.29
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyrrolidin-1-yl-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyrrolidin-1-yl-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,3-thiazole?
The IUPAC name of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyrrolidin-1-yl-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,3-thiazole (CID 56949852) is 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyrrolidin-1-yl-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,3-thiazole.
What is the SMILES notation for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyrrolidin-1-yl-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,3-thiazole?
The canonical SMILES for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyrrolidin-1-yl-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,3-thiazole is FC(F)(F)C(F)(Cc1nc(N2CCCC2)sc1C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyrrolidin-1-yl-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,3-thiazole?
The InChIKey is DLXKCEMHMSOJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F14N2S/c15-9(11(17,18)19,12(20,21)22)5-6-7(10(16,13(23,24)25)14(26,27)28)31-8(29-6)30-3-1-2-4-30/h1-5H2.
What are the key properties of 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyrrolidin-1-yl-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,3-thiazole?
5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyrrolidin-1-yl-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,3-thiazole has a molecular weight of 504.29 g/mol, XLogP of 6.41, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-pyrrolidin-1-yl-4-[2,3,3,3-tetrafluoro-2-(trifluoromethyl)propyl]-1,3-thiazole is sourced from PubChem (CID 56949852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).