4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran

C15H10F2O2 — CID 117170411

IUPAC4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
SMILESFc1ccc(OCc2coc3cccc(F)c23)cc1
InChIInChI=1S/C15H10F2O2/c16-11-4-6-12(7-5-11)18-8-10-9-19-14-3-1-2-13(17)15(10)14/h1-7,9H,8H2
InChIKeyIVPIOPIIQJJAMW-UHFFFAOYSA-N
MW260.24 g/mol
LogP4.29
Rot. Bonds3

About 4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran

4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran (PubChem CID 117170411) has the molecular formula C15H10F2O2 and a molecular weight of 260.24 g/mol. Its IUPAC name is 4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran.

Molecular Properties

Compound Name4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
PubChem CID117170411
Molecular FormulaC15H10F2O2
Molecular Weight260.24 g/mol
Exact Mass260.06
IUPAC Name4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
SMILESFc1ccc(OCc2coc3cccc(F)c23)cc1
InChIInChI=1S/C15H10F2O2/c16-11-4-6-12(7-5-11)18-8-10-9-19-14-3-1-2-13(17)15(10)14/h1-7,9H,8H2
InChIKeyIVPIOPIIQJJAMW-UHFFFAOYSA-N
XLogP4.29
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-1-benzofuran-3-yl)methyl formate
CID 91150142
4-[(4-amino-1-benzofuran-3-yl)methoxy]phenol
CID 117170417
4-[(4-chloro-1-benzofuran-3-yl)methoxy]phenol
CID 117170423
3-(phenoxymethyl)-1-benzofuran-4-amine
CID 117170323
4-bromo-3-(phenoxymethyl)-1-benzofuran
CID 117170327
4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole
CID 117171394
3-[(4-bromophenoxy)methyl]-1-benzofuran-4-amine
CID 117170407
[3-[(4-methoxyphenoxy)methyl]-1-benzofuran-4-yl]methanamine
CID 117170233
1-(4-fluoro-1-benzofuran-3-yl)-N,N-dimethylmethanamine
CID 117170265
7-chloro-3-[(4-fluorophenoxy)methyl]-1-benzofuran
CID 117181095
1-(4-fluoro-1-benzofuran-3-yl)-N-methylpropan-2-amine
CID 117194797
3-[(2-fluorophenoxy)methyl]-1-benzofuran
CID 117170334

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran?
The IUPAC name of 4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran (CID 117170411) is 4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran.
What is the SMILES notation for 4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran?
The canonical SMILES for 4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran is Fc1ccc(OCc2coc3cccc(F)c23)cc1.
What is the InChIKey of 4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran?
The InChIKey is IVPIOPIIQJJAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F2O2/c16-11-4-6-12(7-5-11)18-8-10-9-19-14-3-1-2-13(17)15(10)14/h1-7,9H,8H2.
What are the key properties of 4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran?
4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran has a molecular weight of 260.24 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[(4-fluorophenoxy)methyl]-1-benzofuran is sourced from PubChem (CID 117170411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).