6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran

C15H10ClFO2 — CID 117177608

IUPAC6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran
SMILESFc1ccccc1OCc1coc2cc(Cl)ccc12
InChIInChI=1S/C15H10ClFO2/c16-11-5-6-12-10(9-19-15(12)7-11)8-18-14-4-2-1-3-13(14)17/h1-7,9H,8H2
InChIKeyDBLKPWRFTQWKKR-UHFFFAOYSA-N
MW276.69 g/mol
LogP4.80
Rot. Bonds3

About 6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran

6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran (PubChem CID 117177608) has the molecular formula C15H10ClFO2 and a molecular weight of 276.69 g/mol. Its IUPAC name is 6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran.

Molecular Properties

Compound Name6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran
PubChem CID117177608
Molecular FormulaC15H10ClFO2
Molecular Weight276.69 g/mol
Exact Mass276.04
IUPAC Name6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran
SMILESFc1ccccc1OCc1coc2cc(Cl)ccc12
InChIInChI=1S/C15H10ClFO2/c16-11-5-6-12-10(9-19-15(12)7-11)8-18-14-4-2-1-3-13(14)17/h1-7,9H,8H2
InChIKeyDBLKPWRFTQWKKR-UHFFFAOYSA-N
XLogP4.80
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.69
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-fluorophenoxy)methyl]-1-benzofuran
CID 117170334
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
5-chloro-2-[(2-fluorophenoxy)methyl]aniline
CID 62102569
[3-[(2-fluorophenoxy)methyl]-1-benzofuran-7-yl]methanamine
CID 117180945
4-[(5-chloro-1-benzofuran-3-yl)methoxy]-1H-indole
CID 141124827
1-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
6-fluoro-3-(methoxymethyl)-1-benzofuran
CID 117177694
2,4-dichloro-5-[(2-fluorophenoxy)methyl]pyridine
CID 116519330
4-chloro-1-fluoro-2-[(2-iodophenoxy)methyl]benzene
CID 103046666
7-fluoro-3-[(2-methylphenoxy)methyl]-1-benzofuran
CID 117181030
3-fluoro-4-[(2-fluorophenoxy)methyl]phenol
CID 117219499
2-bromo-4-chloro-1-[(2-fluorophenyl)methoxy]benzene
CID 146003855

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran?
The IUPAC name of 6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran (CID 117177608) is 6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran.
What is the SMILES notation for 6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran?
The canonical SMILES for 6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran is Fc1ccccc1OCc1coc2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran?
The InChIKey is DBLKPWRFTQWKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFO2/c16-11-5-6-12-10(9-19-15(12)7-11)8-18-14-4-2-1-3-13(14)17/h1-7,9H,8H2.
What are the key properties of 6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran?
6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran has a molecular weight of 276.69 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(2-fluorophenoxy)methyl]-1-benzofuran is sourced from PubChem (CID 117177608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).