6-chloro-2-(trifluoromethyl)chromen-4-one

C10H4ClF3O2 — CID 746049

IUPAC6-chloro-2-(trifluoromethyl)chromen-4-one
SMILESO=c1cc(C(F)(F)F)oc2ccc(Cl)cc12
InChIInChI=1S/C10H4ClF3O2/c11-5-1-2-8-6(3-5)7(15)4-9(16-8)10(12,13)14/h1-4H
InChIKeyBLDVZOZULZEBME-UHFFFAOYSA-N
MW248.59 g/mol
LogP3.47
Rot. Bonds

About 6-chloro-2-(trifluoromethyl)chromen-4-one

6-chloro-2-(trifluoromethyl)chromen-4-one (PubChem CID 746049) has the molecular formula C10H4ClF3O2 and a molecular weight of 248.59 g/mol. Its IUPAC name is 6-chloro-2-(trifluoromethyl)chromen-4-one.

Molecular Properties

Compound Name6-chloro-2-(trifluoromethyl)chromen-4-one
PubChem CID746049
Molecular FormulaC10H4ClF3O2
Molecular Weight248.59 g/mol
Exact Mass247.99
IUPAC Name6-chloro-2-(trifluoromethyl)chromen-4-one
SMILESO=c1cc(C(F)(F)F)oc2ccc(Cl)cc12
InChIInChI=1S/C10H4ClF3O2/c11-5-1-2-8-6(3-5)7(15)4-9(16-8)10(12,13)14/h1-4H
InChIKeyBLDVZOZULZEBME-UHFFFAOYSA-N
XLogP3.47
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.59
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-chloro-2-(trifluoromethyl)chromen-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(trifluoromethyl)chromen-4-one?
The IUPAC name of 6-chloro-2-(trifluoromethyl)chromen-4-one (CID 746049) is 6-chloro-2-(trifluoromethyl)chromen-4-one.
What is the SMILES notation for 6-chloro-2-(trifluoromethyl)chromen-4-one?
The canonical SMILES for 6-chloro-2-(trifluoromethyl)chromen-4-one is O=c1cc(C(F)(F)F)oc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-(trifluoromethyl)chromen-4-one?
The InChIKey is BLDVZOZULZEBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClF3O2/c11-5-1-2-8-6(3-5)7(15)4-9(16-8)10(12,13)14/h1-4H.
What are the key properties of 6-chloro-2-(trifluoromethyl)chromen-4-one?
6-chloro-2-(trifluoromethyl)chromen-4-one has a molecular weight of 248.59 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(trifluoromethyl)chromen-4-one is sourced from PubChem (CID 746049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).