2-amino-5-fluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)-1,3-thiazol-4-ol

C7H3F11N2OS — CID 15456269

IUPAC2-amino-5-fluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)-1,3-thiazol-4-ol
SMILESNC1=NC(O)(C(F)(F)F)C(F)(C(F)(F)C(F)(F)C(F)(F)F)S1
InChIInChI=1S/C7H3F11N2OS/c8-2(9,3(10,11)6(13,14)15)4(12)5(21,7(16,17)18)20-1(19)22-4/h21H,(H2,19,20)
InChIKeyWRHNPQSSLMUSCX-UHFFFAOYSA-N
MW372.16 g/mol
LogP2.80
Rot. Bonds2

About 2-amino-5-fluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)-1,3-thiazol-4-ol

2-amino-5-fluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)-1,3-thiazol-4-ol (PubChem CID 15456269) has the molecular formula C7H3F11N2OS and a molecular weight of 372.16 g/mol. Its IUPAC name is 2-amino-5-fluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)-1,3-thiazol-4-ol.

Molecular Properties

Compound Name2-amino-5-fluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)-1,3-thiazol-4-ol
PubChem CID15456269
Molecular FormulaC7H3F11N2OS
Molecular Weight372.16 g/mol
Exact Mass371.98
IUPAC Name2-amino-5-fluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)-1,3-thiazol-4-ol
SMILESNC1=NC(O)(C(F)(F)F)C(F)(C(F)(F)C(F)(F)C(F)(F)F)S1
InChIInChI=1S/C7H3F11N2OS/c8-2(9,3(10,11)6(13,14)15)4(12)5(21,7(16,17)18)20-1(19)22-4/h21H,(H2,19,20)
InChIKeyWRHNPQSSLMUSCX-UHFFFAOYSA-N
XLogP2.80
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.16
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)-1,3-thiazol-4-ol?
The IUPAC name of 2-amino-5-fluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)-1,3-thiazol-4-ol (CID 15456269) is 2-amino-5-fluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)-1,3-thiazol-4-ol.
What is the SMILES notation for 2-amino-5-fluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)-1,3-thiazol-4-ol?
The canonical SMILES for 2-amino-5-fluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)-1,3-thiazol-4-ol is NC1=NC(O)(C(F)(F)F)C(F)(C(F)(F)C(F)(F)C(F)(F)F)S1.
What is the InChIKey of 2-amino-5-fluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)-1,3-thiazol-4-ol?
The InChIKey is WRHNPQSSLMUSCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F11N2OS/c8-2(9,3(10,11)6(13,14)15)4(12)5(21,7(16,17)18)20-1(19)22-4/h21H,(H2,19,20).
What are the key properties of 2-amino-5-fluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)-1,3-thiazol-4-ol?
2-amino-5-fluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)-1,3-thiazol-4-ol has a molecular weight of 372.16 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-fluoro-5-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(trifluoromethyl)-1,3-thiazol-4-ol is sourced from PubChem (CID 15456269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).