5,6-dichloro-3-(trifluoromethyl)-1-benzofuran

C9H3Cl2F3O — CID 166609364

IUPAC5,6-dichloro-3-(trifluoromethyl)-1-benzofuran
SMILESFC(F)(F)c1coc2cc(Cl)c(Cl)cc12
InChIInChI=1S/C9H3Cl2F3O/c10-6-1-4-5(9(12,13)14)3-15-8(4)2-7(6)11/h1-3H
InChIKeyANQGXFIXJIYVLK-UHFFFAOYSA-N
MW255.02 g/mol
LogP4.76
Rot. Bonds

About 5,6-dichloro-3-(trifluoromethyl)-1-benzofuran

5,6-dichloro-3-(trifluoromethyl)-1-benzofuran (PubChem CID 166609364) has the molecular formula C9H3Cl2F3O and a molecular weight of 255.02 g/mol. Its IUPAC name is 5,6-dichloro-3-(trifluoromethyl)-1-benzofuran.

Molecular Properties

Compound Name5,6-dichloro-3-(trifluoromethyl)-1-benzofuran
PubChem CID166609364
Molecular FormulaC9H3Cl2F3O
Molecular Weight255.02 g/mol
Exact Mass253.95
IUPAC Name5,6-dichloro-3-(trifluoromethyl)-1-benzofuran
SMILESFC(F)(F)c1coc2cc(Cl)c(Cl)cc12
InChIInChI=1S/C9H3Cl2F3O/c10-6-1-4-5(9(12,13)14)3-15-8(4)2-7(6)11/h1-3H
InChIKeyANQGXFIXJIYVLK-UHFFFAOYSA-N
XLogP4.76
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.02
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

7-(trifluoromethyl)furo[2,3-f][1,3]benzodioxole
CID 166609361
5-bromo-3-(trifluoromethyl)-1-benzofuran
CID 71669158
6-bromo-5-methoxy-3-(trifluoromethyl)-1-benzofuran
CID 166609344
5-methoxy-3-(trifluoromethyl)-1-benzofuran-6-carboxylic acid
CID 166609347
6-propan-2-yloxy-3-(trifluoromethyl)-1-benzofuran
CID 166609371
3-(chloromethyl)-5-fluoro-6-(trifluoromethyl)-1-benzofuran
CID 90300157
7-(4-chloro-2-fluorophenyl)-3-(trifluoromethyl)chromen-4-one
CID 166446295
5-chloro-6-(trifluoromethyl)-2-benzofuran
CID 91137003
5-[1-(4-chloropyrimidin-2-yl)sulfanylethyl]-3-(trifluoromethyl)furo[2,3-c]pyridine
CID 150934992
2,6-dichloro-5-(trifluoromethyl)-1,3-benzoxazole
CID 134297312
CID 162603813
CID 162603813
6-tert-butyl-3-chloro-1-benzofuran
CID 153011852

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-(trifluoromethyl)-1-benzofuran?
The IUPAC name of 5,6-dichloro-3-(trifluoromethyl)-1-benzofuran (CID 166609364) is 5,6-dichloro-3-(trifluoromethyl)-1-benzofuran.
What is the SMILES notation for 5,6-dichloro-3-(trifluoromethyl)-1-benzofuran?
The canonical SMILES for 5,6-dichloro-3-(trifluoromethyl)-1-benzofuran is FC(F)(F)c1coc2cc(Cl)c(Cl)cc12.
What is the InChIKey of 5,6-dichloro-3-(trifluoromethyl)-1-benzofuran?
The InChIKey is ANQGXFIXJIYVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3Cl2F3O/c10-6-1-4-5(9(12,13)14)3-15-8(4)2-7(6)11/h1-3H.
What are the key properties of 5,6-dichloro-3-(trifluoromethyl)-1-benzofuran?
5,6-dichloro-3-(trifluoromethyl)-1-benzofuran has a molecular weight of 255.02 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-(trifluoromethyl)-1-benzofuran is sourced from PubChem (CID 166609364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).