7-(trifluoromethylsulfonyl)chromen-2-one

C10H5F3O4S — CID 87749659

IUPAC7-(trifluoromethylsulfonyl)chromen-2-one
SMILESO=c1ccc2ccc(S(=O)(=O)C(F)(F)F)cc2o1
InChIInChI=1S/C10H5F3O4S/c11-10(12,13)18(15,16)7-3-1-6-2-4-9(14)17-8(6)5-7/h1-5H
InChIKeyGYFGYWOKTSWRSH-UHFFFAOYSA-N
MW278.21 g/mol
LogP2.09
Rot. Bonds1

About 7-(trifluoromethylsulfonyl)chromen-2-one

7-(trifluoromethylsulfonyl)chromen-2-one (PubChem CID 87749659) has the molecular formula C10H5F3O4S and a molecular weight of 278.21 g/mol. Its IUPAC name is 7-(trifluoromethylsulfonyl)chromen-2-one.

Molecular Properties

Compound Name7-(trifluoromethylsulfonyl)chromen-2-one
PubChem CID87749659
Molecular FormulaC10H5F3O4S
Molecular Weight278.21 g/mol
Exact Mass277.99
IUPAC Name7-(trifluoromethylsulfonyl)chromen-2-one
SMILESO=c1ccc2ccc(S(=O)(=O)C(F)(F)F)cc2o1
InChIInChI=1S/C10H5F3O4S/c11-10(12,13)18(15,16)7-3-1-6-2-4-9(14)17-8(6)5-7/h1-5H
InChIKeyGYFGYWOKTSWRSH-UHFFFAOYSA-N
XLogP2.09
TPSA64.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(trifluoromethylsulfonyl)chromen-2-one?
The IUPAC name of 7-(trifluoromethylsulfonyl)chromen-2-one (CID 87749659) is 7-(trifluoromethylsulfonyl)chromen-2-one.
What is the SMILES notation for 7-(trifluoromethylsulfonyl)chromen-2-one?
The canonical SMILES for 7-(trifluoromethylsulfonyl)chromen-2-one is O=c1ccc2ccc(S(=O)(=O)C(F)(F)F)cc2o1.
What is the InChIKey of 7-(trifluoromethylsulfonyl)chromen-2-one?
The InChIKey is GYFGYWOKTSWRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3O4S/c11-10(12,13)18(15,16)7-3-1-6-2-4-9(14)17-8(6)5-7/h1-5H.
What are the key properties of 7-(trifluoromethylsulfonyl)chromen-2-one?
7-(trifluoromethylsulfonyl)chromen-2-one has a molecular weight of 278.21 g/mol, XLogP of 2.09, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(trifluoromethylsulfonyl)chromen-2-one is sourced from PubChem (CID 87749659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).