2-[4-(trifluoromethyl)phenyl]chromen-4-one

C16H9F3O2 — CID 14735885

IUPAC2-[4-(trifluoromethyl)phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)oc2ccccc12
InChIInChI=1S/C16H9F3O2/c17-16(18,19)11-7-5-10(6-8-11)15-9-13(20)12-3-1-2-4-14(12)21-15/h1-9H
InChIKeyXISMXQJXDBDZSJ-UHFFFAOYSA-N
MW290.24 g/mol
LogP4.48
Rot. Bonds1

About 2-[4-(trifluoromethyl)phenyl]chromen-4-one

2-[4-(trifluoromethyl)phenyl]chromen-4-one (PubChem CID 14735885) has the molecular formula C16H9F3O2 and a molecular weight of 290.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]chromen-4-one.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]chromen-4-one
PubChem CID14735885
Molecular FormulaC16H9F3O2
Molecular Weight290.24 g/mol
Exact Mass290.06
IUPAC Name2-[4-(trifluoromethyl)phenyl]chromen-4-one
SMILESO=c1cc(-c2ccc(C(F)(F)F)cc2)oc2ccccc12
InChIInChI=1S/C16H9F3O2/c17-16(18,19)11-7-5-10(6-8-11)15-9-13(20)12-3-1-2-4-14(12)21-15/h1-9H
InChIKeyXISMXQJXDBDZSJ-UHFFFAOYSA-N
XLogP4.48
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.24
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]chromen-4-one?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]chromen-4-one (CID 14735885) is 2-[4-(trifluoromethyl)phenyl]chromen-4-one.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]chromen-4-one?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]chromen-4-one is O=c1cc(-c2ccc(C(F)(F)F)cc2)oc2ccccc12.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]chromen-4-one?
The InChIKey is XISMXQJXDBDZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F3O2/c17-16(18,19)11-7-5-10(6-8-11)15-9-13(20)12-3-1-2-4-14(12)21-15/h1-9H.
What are the key properties of 2-[4-(trifluoromethyl)phenyl]chromen-4-one?
2-[4-(trifluoromethyl)phenyl]chromen-4-one has a molecular weight of 290.24 g/mol, XLogP of 4.48, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]chromen-4-one is sourced from PubChem (CID 14735885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).