6-chloro-7-(phenoxymethyl)-2-(trifluoromethyl)-2H-chromene

C17H12ClF3O2 — CID 91223486

IUPAC6-chloro-7-(phenoxymethyl)-2-(trifluoromethyl)-2H-chromene
SMILESFC(F)(F)C1C=Cc2cc(Cl)c(COc3ccccc3)cc2O1
InChIInChI=1S/C17H12ClF3O2/c18-14-8-11-6-7-16(17(19,20)21)23-15(11)9-12(14)10-22-13-4-2-1-3-5-13/h1-9,16H,10H2
InChIKeyITVSFYXZTVLGGR-UHFFFAOYSA-N
MW340.73 g/mol
LogP5.26
Rot. Bonds3

About 6-chloro-7-(phenoxymethyl)-2-(trifluoromethyl)-2H-chromene

6-chloro-7-(phenoxymethyl)-2-(trifluoromethyl)-2H-chromene (PubChem CID 91223486) has the molecular formula C17H12ClF3O2 and a molecular weight of 340.73 g/mol. Its IUPAC name is 6-chloro-7-(phenoxymethyl)-2-(trifluoromethyl)-2H-chromene.

Molecular Properties

Compound Name6-chloro-7-(phenoxymethyl)-2-(trifluoromethyl)-2H-chromene
PubChem CID91223486
Molecular FormulaC17H12ClF3O2
Molecular Weight340.73 g/mol
Exact Mass340.05
IUPAC Name6-chloro-7-(phenoxymethyl)-2-(trifluoromethyl)-2H-chromene
SMILESFC(F)(F)C1C=Cc2cc(Cl)c(COc3ccccc3)cc2O1
InChIInChI=1S/C17H12ClF3O2/c18-14-8-11-6-7-16(17(19,20)21)23-15(11)9-12(14)10-22-13-4-2-1-3-5-13/h1-9,16H,10H2
InChIKeyITVSFYXZTVLGGR-UHFFFAOYSA-N
XLogP5.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.73
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(phenoxymethyl)-2-(trifluoromethyl)-2H-chromene?
The IUPAC name of 6-chloro-7-(phenoxymethyl)-2-(trifluoromethyl)-2H-chromene (CID 91223486) is 6-chloro-7-(phenoxymethyl)-2-(trifluoromethyl)-2H-chromene.
What is the SMILES notation for 6-chloro-7-(phenoxymethyl)-2-(trifluoromethyl)-2H-chromene?
The canonical SMILES for 6-chloro-7-(phenoxymethyl)-2-(trifluoromethyl)-2H-chromene is FC(F)(F)C1C=Cc2cc(Cl)c(COc3ccccc3)cc2O1.
What is the InChIKey of 6-chloro-7-(phenoxymethyl)-2-(trifluoromethyl)-2H-chromene?
The InChIKey is ITVSFYXZTVLGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClF3O2/c18-14-8-11-6-7-16(17(19,20)21)23-15(11)9-12(14)10-22-13-4-2-1-3-5-13/h1-9,16H,10H2.
What are the key properties of 6-chloro-7-(phenoxymethyl)-2-(trifluoromethyl)-2H-chromene?
6-chloro-7-(phenoxymethyl)-2-(trifluoromethyl)-2H-chromene has a molecular weight of 340.73 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(phenoxymethyl)-2-(trifluoromethyl)-2H-chromene is sourced from PubChem (CID 91223486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).