7-amino-3,4,5-trifluorochromen-2-one

C9H4F3NO2 — CID 87063496

IUPAC7-amino-3,4,5-trifluorochromen-2-one
SMILESNc1cc(F)c2c(F)c(F)c(=O)oc2c1
InChIInChI=1S/C9H4F3NO2/c10-4-1-3(13)2-5-6(4)7(11)8(12)9(14)15-5/h1-2H,13H2
InChIKeyCKWSMOULNFRJFG-UHFFFAOYSA-N
MW215.13 g/mol
LogP1.79
Rot. Bonds

About 7-amino-3,4,5-trifluorochromen-2-one

7-amino-3,4,5-trifluorochromen-2-one (PubChem CID 87063496) has the molecular formula C9H4F3NO2 and a molecular weight of 215.13 g/mol. Its IUPAC name is 7-amino-3,4,5-trifluorochromen-2-one.

Molecular Properties

Compound Name7-amino-3,4,5-trifluorochromen-2-one
PubChem CID87063496
Molecular FormulaC9H4F3NO2
Molecular Weight215.13 g/mol
Exact Mass215.02
IUPAC Name7-amino-3,4,5-trifluorochromen-2-one
SMILESNc1cc(F)c2c(F)c(F)c(=O)oc2c1
InChIInChI=1S/C9H4F3NO2/c10-4-1-3(13)2-5-6(4)7(11)8(12)9(14)15-5/h1-2H,13H2
InChIKeyCKWSMOULNFRJFG-UHFFFAOYSA-N
XLogP1.79
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.13
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3,4,5-trifluorochromen-2-one?
The IUPAC name of 7-amino-3,4,5-trifluorochromen-2-one (CID 87063496) is 7-amino-3,4,5-trifluorochromen-2-one.
What is the SMILES notation for 7-amino-3,4,5-trifluorochromen-2-one?
The canonical SMILES for 7-amino-3,4,5-trifluorochromen-2-one is Nc1cc(F)c2c(F)c(F)c(=O)oc2c1.
What is the InChIKey of 7-amino-3,4,5-trifluorochromen-2-one?
The InChIKey is CKWSMOULNFRJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F3NO2/c10-4-1-3(13)2-5-6(4)7(11)8(12)9(14)15-5/h1-2H,13H2.
What are the key properties of 7-amino-3,4,5-trifluorochromen-2-one?
7-amino-3,4,5-trifluorochromen-2-one has a molecular weight of 215.13 g/mol, XLogP of 1.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3,4,5-trifluorochromen-2-one is sourced from PubChem (CID 87063496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).