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

C13H12ClF3O2 — CID 141097869

IUPAC6-chloro-7-(ethoxymethyl)-2-(trifluoromethyl)-2H-chromene
SMILESCCOCc1cc2c(cc1Cl)C=CC(C(F)(F)F)O2
InChIInChI=1S/C13H12ClF3O2/c1-2-18-7-9-6-11-8(5-10(9)14)3-4-12(19-11)13(15,16)17/h3-6,12H,2,7H2,1H3
InChIKeyBTYASMGJAWPLIF-UHFFFAOYSA-N
MW292.68 g/mol
LogP4.21
Rot. Bonds3

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

6-chloro-7-(ethoxymethyl)-2-(trifluoromethyl)-2H-chromene (PubChem CID 141097869) has the molecular formula C13H12ClF3O2 and a molecular weight of 292.68 g/mol. Its IUPAC name is 6-chloro-7-(ethoxymethyl)-2-(trifluoromethyl)-2H-chromene.

Molecular Properties

Compound Name6-chloro-7-(ethoxymethyl)-2-(trifluoromethyl)-2H-chromene
PubChem CID141097869
Molecular FormulaC13H12ClF3O2
Molecular Weight292.68 g/mol
Exact Mass292.05
IUPAC Name6-chloro-7-(ethoxymethyl)-2-(trifluoromethyl)-2H-chromene
SMILESCCOCc1cc2c(cc1Cl)C=CC(C(F)(F)F)O2
InChIInChI=1S/C13H12ClF3O2/c1-2-18-7-9-6-11-8(5-10(9)14)3-4-12(19-11)13(15,16)17/h3-6,12H,2,7H2,1H3
InChIKeyBTYASMGJAWPLIF-UHFFFAOYSA-N
XLogP4.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.68
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-(ethoxymethyl)-2-(trifluoromethyl)-2H-chromene?
The IUPAC name of 6-chloro-7-(ethoxymethyl)-2-(trifluoromethyl)-2H-chromene (CID 141097869) is 6-chloro-7-(ethoxymethyl)-2-(trifluoromethyl)-2H-chromene.
What is the SMILES notation for 6-chloro-7-(ethoxymethyl)-2-(trifluoromethyl)-2H-chromene?
The canonical SMILES for 6-chloro-7-(ethoxymethyl)-2-(trifluoromethyl)-2H-chromene is CCOCc1cc2c(cc1Cl)C=CC(C(F)(F)F)O2.
What is the InChIKey of 6-chloro-7-(ethoxymethyl)-2-(trifluoromethyl)-2H-chromene?
The InChIKey is BTYASMGJAWPLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClF3O2/c1-2-18-7-9-6-11-8(5-10(9)14)3-4-12(19-11)13(15,16)17/h3-6,12H,2,7H2,1H3.
What are the key properties of 6-chloro-7-(ethoxymethyl)-2-(trifluoromethyl)-2H-chromene?
6-chloro-7-(ethoxymethyl)-2-(trifluoromethyl)-2H-chromene has a molecular weight of 292.68 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-(ethoxymethyl)-2-(trifluoromethyl)-2H-chromene is sourced from PubChem (CID 141097869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).