7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran

C16H10F4O2 — CID 117181081

IUPAC7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
SMILESFc1cccc2c(COc3ccc(C(F)(F)F)cc3)coc12
InChIInChI=1S/C16H10F4O2/c17-14-3-1-2-13-10(9-22-15(13)14)8-21-12-6-4-11(5-7-12)16(18,19)20/h1-7,9H,8H2
InChIKeyDSXNVVVEQCDLLK-UHFFFAOYSA-N
MW310.25 g/mol
LogP5.17
Rot. Bonds3

About 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran

7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran (PubChem CID 117181081) has the molecular formula C16H10F4O2 and a molecular weight of 310.25 g/mol. Its IUPAC name is 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran.

Molecular Properties

Compound Name7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
PubChem CID117181081
Molecular FormulaC16H10F4O2
Molecular Weight310.25 g/mol
Exact Mass310.06
IUPAC Name7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran
SMILESFc1cccc2c(COc3ccc(C(F)(F)F)cc3)coc12
InChIInChI=1S/C16H10F4O2/c17-14-3-1-2-13-10(9-22-15(13)14)8-21-12-6-4-11(5-7-12)16(18,19)20/h1-7,9H,8H2
InChIKeyDSXNVVVEQCDLLK-UHFFFAOYSA-N
XLogP5.17
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.25
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran?
The IUPAC name of 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran (CID 117181081) is 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran.
What is the SMILES notation for 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran?
The canonical SMILES for 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran is Fc1cccc2c(COc3ccc(C(F)(F)F)cc3)coc12.
What is the InChIKey of 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran?
The InChIKey is DSXNVVVEQCDLLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4O2/c17-14-3-1-2-13-10(9-22-15(13)14)8-21-12-6-4-11(5-7-12)16(18,19)20/h1-7,9H,8H2.
What are the key properties of 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran?
7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran has a molecular weight of 310.25 g/mol, XLogP of 5.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[[4-(trifluoromethyl)phenoxy]methyl]-1-benzofuran is sourced from PubChem (CID 117181081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).