2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran

C16H13ClF2O2 — CID 115956641

IUPAC2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran
SMILESFc1ccc2c(c1)CC(COc1c(F)cccc1CCl)O2
InChIInChI=1S/C16H13ClF2O2/c17-8-10-2-1-3-14(19)16(10)20-9-13-7-11-6-12(18)4-5-15(11)21-13/h1-6,13H,7-9H2
InChIKeyALYMWUMIVOTEFU-UHFFFAOYSA-N
MW310.73 g/mol
LogP4.09
Rot. Bonds4

About 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran

2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran (PubChem CID 115956641) has the molecular formula C16H13ClF2O2 and a molecular weight of 310.73 g/mol. Its IUPAC name is 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran
PubChem CID115956641
Molecular FormulaC16H13ClF2O2
Molecular Weight310.73 g/mol
Exact Mass310.06
IUPAC Name2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran
SMILESFc1ccc2c(c1)CC(COc1c(F)cccc1CCl)O2
InChIInChI=1S/C16H13ClF2O2/c17-8-10-2-1-3-14(19)16(10)20-9-13-7-11-6-12(18)4-5-15(11)21-13/h1-6,13H,7-9H2
InChIKeyALYMWUMIVOTEFU-UHFFFAOYSA-N
XLogP4.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.73
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(chloromethyl)-6-methylphenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 115956487
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-methyl-2,3-dihydro-1-benzofuran
CID 115956664
5-fluoro-2-[(2-fluorophenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 66361307
[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]methanol
CID 66364718
3-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline
CID 107715648
2-[[2-chloro-6-(chloromethyl)phenoxy]methyl]-2,3-dihydro-1-benzofuran
CID 115956547
5-chloro-2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]aniline
CID 66364663
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]oxolane
CID 112613634
(2S)-2-[(3,5-dimethylphenoxy)methyl]-5-fluoro-2,3-dihydro-1-benzofuran
CID 141114126
2-[2-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]ethyl]aniline
CID 102902173
(1S)-1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanamine
CID 66363116
1-[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]phenyl]ethanamine
CID 66365450

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran (CID 115956641) is 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran is Fc1ccc2c(c1)CC(COc1c(F)cccc1CCl)O2.
What is the InChIKey of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran?
The InChIKey is ALYMWUMIVOTEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClF2O2/c17-8-10-2-1-3-14(19)16(10)20-9-13-7-11-6-12(18)4-5-15(11)21-13/h1-6,13H,7-9H2.
What are the key properties of 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran?
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran has a molecular weight of 310.73 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-5-fluoro-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 115956641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).