1-[2-(trifluoromethyl)-2H-benzo[g]chromen-3-yl]ethanone

C16H11F3O2 — CID 59106590

IUPAC1-[2-(trifluoromethyl)-2H-benzo[g]chromen-3-yl]ethanone
SMILESCC(=O)C1=Cc2cc3ccccc3cc2OC1C(F)(F)F
InChIInChI=1S/C16H11F3O2/c1-9(20)13-7-12-6-10-4-2-3-5-11(10)8-14(12)21-15(13)16(17,18)19/h2-8,15H,1H3
InChIKeyAXTIBWWMZBUIDK-UHFFFAOYSA-N
MW292.26 g/mol
LogP4.14
Rot. Bonds1

About 1-[2-(trifluoromethyl)-2H-benzo[g]chromen-3-yl]ethanone

1-[2-(trifluoromethyl)-2H-benzo[g]chromen-3-yl]ethanone (PubChem CID 59106590) has the molecular formula C16H11F3O2 and a molecular weight of 292.26 g/mol. Its IUPAC name is 1-[2-(trifluoromethyl)-2H-benzo[g]chromen-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(trifluoromethyl)-2H-benzo[g]chromen-3-yl]ethanone
PubChem CID59106590
Molecular FormulaC16H11F3O2
Molecular Weight292.26 g/mol
Exact Mass292.07
IUPAC Name1-[2-(trifluoromethyl)-2H-benzo[g]chromen-3-yl]ethanone
SMILESCC(=O)C1=Cc2cc3ccccc3cc2OC1C(F)(F)F
InChIInChI=1S/C16H11F3O2/c1-9(20)13-7-12-6-10-4-2-3-5-11(10)8-14(12)21-15(13)16(17,18)19/h2-8,15H,1H3
InChIKeyAXTIBWWMZBUIDK-UHFFFAOYSA-N
XLogP4.14
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(trifluoromethyl)-2H-benzo[g]chromen-3-yl]ethanone?
The IUPAC name of 1-[2-(trifluoromethyl)-2H-benzo[g]chromen-3-yl]ethanone (CID 59106590) is 1-[2-(trifluoromethyl)-2H-benzo[g]chromen-3-yl]ethanone.
What is the SMILES notation for 1-[2-(trifluoromethyl)-2H-benzo[g]chromen-3-yl]ethanone?
The canonical SMILES for 1-[2-(trifluoromethyl)-2H-benzo[g]chromen-3-yl]ethanone is CC(=O)C1=Cc2cc3ccccc3cc2OC1C(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethyl)-2H-benzo[g]chromen-3-yl]ethanone?
The InChIKey is AXTIBWWMZBUIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3O2/c1-9(20)13-7-12-6-10-4-2-3-5-11(10)8-14(12)21-15(13)16(17,18)19/h2-8,15H,1H3.
What are the key properties of 1-[2-(trifluoromethyl)-2H-benzo[g]chromen-3-yl]ethanone?
1-[2-(trifluoromethyl)-2H-benzo[g]chromen-3-yl]ethanone has a molecular weight of 292.26 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethyl)-2H-benzo[g]chromen-3-yl]ethanone is sourced from PubChem (CID 59106590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).