2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone

C15H9F3O3 — CID 171108154

IUPAC2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone
SMILESO=C(C1=C(O)c2c(ccc3ccccc23)OC1)C(F)(F)F
InChIInChI=1S/C15H9F3O3/c16-15(17,18)14(20)10-7-21-11-6-5-8-3-1-2-4-9(8)12(11)13(10)19/h1-6,19H,7H2
InChIKeyXNFJBSSEEHFLPS-UHFFFAOYSA-N
MW294.23 g/mol
LogP3.63
Rot. Bonds1

About 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone

2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone (PubChem CID 171108154) has the molecular formula C15H9F3O3 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone
PubChem CID171108154
Molecular FormulaC15H9F3O3
Molecular Weight294.23 g/mol
Exact Mass294.05
IUPAC Name2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone
SMILESO=C(C1=C(O)c2c(ccc3ccccc23)OC1)C(F)(F)F
InChIInChI=1S/C15H9F3O3/c16-15(17,18)14(20)10-7-21-11-6-5-8-3-1-2-4-9(8)12(11)13(10)19/h1-6,19H,7H2
InChIKeyXNFJBSSEEHFLPS-UHFFFAOYSA-N
XLogP3.63
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone?
The IUPAC name of 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone (CID 171108154) is 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone is O=C(C1=C(O)c2c(ccc3ccccc23)OC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone?
The InChIKey is XNFJBSSEEHFLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3O3/c16-15(17,18)14(20)10-7-21-11-6-5-8-3-1-2-4-9(8)12(11)13(10)19/h1-6,19H,7H2.
What are the key properties of 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone?
2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone has a molecular weight of 294.23 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(1-hydroxy-3H-benzo[f]chromen-2-yl)ethanone is sourced from PubChem (CID 171108154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).