cinnolin-3-yl 2,2,2-trifluoroacetate

C10H5F3N2O2 — CID 156790490

IUPACcinnolin-3-yl 2,2,2-trifluoroacetate
SMILESO=C(Oc1cc2ccccc2nn1)C(F)(F)F
InChIInChI=1S/C10H5F3N2O2/c11-10(12,13)9(16)17-8-5-6-3-1-2-4-7(6)14-15-8/h1-5H
InChIKeyRFZFUIXJVXSNJA-UHFFFAOYSA-N
MW242.16 g/mol
LogP2.10
Rot. Bonds1

About cinnolin-3-yl 2,2,2-trifluoroacetate

cinnolin-3-yl 2,2,2-trifluoroacetate (PubChem CID 156790490) has the molecular formula C10H5F3N2O2 and a molecular weight of 242.16 g/mol. Its IUPAC name is cinnolin-3-yl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Namecinnolin-3-yl 2,2,2-trifluoroacetate
PubChem CID156790490
Molecular FormulaC10H5F3N2O2
Molecular Weight242.16 g/mol
Exact Mass242.03
IUPAC Namecinnolin-3-yl 2,2,2-trifluoroacetate
SMILESO=C(Oc1cc2ccccc2nn1)C(F)(F)F
InChIInChI=1S/C10H5F3N2O2/c11-10(12,13)9(16)17-8-5-6-3-1-2-4-7(6)14-15-8/h1-5H
InChIKeyRFZFUIXJVXSNJA-UHFFFAOYSA-N
XLogP2.10
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.16
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cinnolin-3-yl 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

quinolin-3-yl 2,2,2-trifluoroacetate
CID 70210319
cinnolin-3-yl trifluoromethanesulfonate
CID 170578226
1,3-benzothiazol-2-yl 2,2,2-trifluoroacetate
CID 91149401
8-cinnolin-3-yloxyoctan-1-ol
CID 19898705
isoquinolin-1-yl 2,2,2-trifluoroacetate
CID 57450719
(2-methoxyphenyl) 2,2,2-trifluoroacetate
CID 613204
cinnoline-3-carboxylic acid;ethane
CID 90831322
[4-(2,2,2-trifluoroacetyl)oxynaphthalen-1-yl] 2,2,2-trifluoroacetate
CID 5201164
3-cinnolin-3-ylcinnoline
CID 12908797
1,2-dihydroacenaphthylen-4-yl 2,2,2-trifluoroacetate
CID 126575550
(3,4-dimethoxyphenyl) 2,2,2-trifluoroacetate
CID 70293212
(5-naphthalen-2-yl-1H-imidazol-2-yl) 2,2,2-trifluoroacetate
CID 67268737

Frequently Asked Questions

What is the IUPAC name of cinnolin-3-yl 2,2,2-trifluoroacetate?
The IUPAC name of cinnolin-3-yl 2,2,2-trifluoroacetate (CID 156790490) is cinnolin-3-yl 2,2,2-trifluoroacetate.
What is the SMILES notation for cinnolin-3-yl 2,2,2-trifluoroacetate?
The canonical SMILES for cinnolin-3-yl 2,2,2-trifluoroacetate is O=C(Oc1cc2ccccc2nn1)C(F)(F)F.
What is the InChIKey of cinnolin-3-yl 2,2,2-trifluoroacetate?
The InChIKey is RFZFUIXJVXSNJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3N2O2/c11-10(12,13)9(16)17-8-5-6-3-1-2-4-7(6)14-15-8/h1-5H.
What are the key properties of cinnolin-3-yl 2,2,2-trifluoroacetate?
cinnolin-3-yl 2,2,2-trifluoroacetate has a molecular weight of 242.16 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cinnolin-3-yl 2,2,2-trifluoroacetate is sourced from PubChem (CID 156790490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).