4-(trifluoromethyl)chromen-2-one

C10H5F3O2 — CID 11275913

IUPAC4-(trifluoromethyl)chromen-2-one
SMILESO=c1cc(C(F)(F)F)c2ccccc2o1
InChIInChI=1S/C10H5F3O2/c11-10(12,13)7-5-9(14)15-8-4-2-1-3-6(7)8/h1-5H
InChIKeyGMTIKJBITYJHPQ-UHFFFAOYSA-N
MW214.14 g/mol
LogP2.81
Rot. Bonds

About 4-(trifluoromethyl)chromen-2-one

4-(trifluoromethyl)chromen-2-one (PubChem CID 11275913) has the molecular formula C10H5F3O2 and a molecular weight of 214.14 g/mol. Its IUPAC name is 4-(trifluoromethyl)chromen-2-one.

Molecular Properties

Compound Name4-(trifluoromethyl)chromen-2-one
PubChem CID11275913
Molecular FormulaC10H5F3O2
Molecular Weight214.14 g/mol
Exact Mass214.02
IUPAC Name4-(trifluoromethyl)chromen-2-one
SMILESO=c1cc(C(F)(F)F)c2ccccc2o1
InChIInChI=1S/C10H5F3O2/c11-10(12,13)7-5-9(14)15-8-4-2-1-3-6(7)8/h1-5H
InChIKeyGMTIKJBITYJHPQ-UHFFFAOYSA-N
XLogP2.81
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)chromen-2-one?
The IUPAC name of 4-(trifluoromethyl)chromen-2-one (CID 11275913) is 4-(trifluoromethyl)chromen-2-one.
What is the SMILES notation for 4-(trifluoromethyl)chromen-2-one?
The canonical SMILES for 4-(trifluoromethyl)chromen-2-one is O=c1cc(C(F)(F)F)c2ccccc2o1.
What is the InChIKey of 4-(trifluoromethyl)chromen-2-one?
The InChIKey is GMTIKJBITYJHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F3O2/c11-10(12,13)7-5-9(14)15-8-4-2-1-3-6(7)8/h1-5H.
What are the key properties of 4-(trifluoromethyl)chromen-2-one?
4-(trifluoromethyl)chromen-2-one has a molecular weight of 214.14 g/mol, XLogP of 2.81, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)chromen-2-one is sourced from PubChem (CID 11275913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).