(Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate

C8H7F3NO2- — CID 102524597

IUPAC(Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate
SMILESCc1nc(/C=C(\[O-])C(F)(F)F)oc1C
InChIInChI=1S/C8H8F3NO2/c1-4-5(2)14-7(12-4)3-6(13)8(9,10)11/h3,13H,1-2H3/p-1/b6-3-
InChIKeyUQDZTCKASNUQGX-UTCJRWHESA-M
MW206.14 g/mol
LogP1.55
Rot. Bonds1

About (Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate

(Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate (PubChem CID 102524597) has the molecular formula C8H7F3NO2- and a molecular weight of 206.14 g/mol. Its IUPAC name is (Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate.

Molecular Properties

Compound Name(Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate
PubChem CID102524597
Molecular FormulaC8H7F3NO2-
Molecular Weight206.14 g/mol
Exact Mass206.04
IUPAC Name(Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate
SMILESCc1nc(/C=C(\[O-])C(F)(F)F)oc1C
InChIInChI=1S/C8H8F3NO2/c1-4-5(2)14-7(12-4)3-6(13)8(9,10)11/h3,13H,1-2H3/p-1/b6-3-
InChIKeyUQDZTCKASNUQGX-UTCJRWHESA-M
XLogP1.55
TPSA49.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.14
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate?
The IUPAC name of (Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate (CID 102524597) is (Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate.
What is the SMILES notation for (Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate?
The canonical SMILES for (Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate is Cc1nc(/C=C(\[O-])C(F)(F)F)oc1C.
What is the InChIKey of (Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate?
The InChIKey is UQDZTCKASNUQGX-UTCJRWHESA-M. The full InChI is InChI=1S/C8H8F3NO2/c1-4-5(2)14-7(12-4)3-6(13)8(9,10)11/h3,13H,1-2H3/p-1/b6-3-.
What are the key properties of (Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate?
(Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate has a molecular weight of 206.14 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4,5-dimethyl-1,3-oxazol-2-yl)-3,3,3-trifluoroprop-1-en-2-olate is sourced from PubChem (CID 102524597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).