5-bromo-7-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzofuran

C16H13BrClFO2 — CID 107691282

IUPAC5-bromo-7-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzofuran
SMILESFc1cc(CCl)ccc1OCc1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H13BrClFO2/c17-13-6-11-3-4-20-16(11)12(7-13)9-21-15-2-1-10(8-18)5-14(15)19/h1-2,5-7H,3-4,8-9H2
InChIKeySWFYYOBKLZLHRE-UHFFFAOYSA-N
MW371.63 g/mol
LogP4.84
Rot. Bonds4

About 5-bromo-7-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzofuran

5-bromo-7-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzofuran (PubChem CID 107691282) has the molecular formula C16H13BrClFO2 and a molecular weight of 371.63 g/mol. Its IUPAC name is 5-bromo-7-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-bromo-7-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzofuran
PubChem CID107691282
Molecular FormulaC16H13BrClFO2
Molecular Weight371.63 g/mol
Exact Mass369.98
IUPAC Name5-bromo-7-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzofuran
SMILESFc1cc(CCl)ccc1OCc1cc(Br)cc2c1OCC2
InChIInChI=1S/C16H13BrClFO2/c17-13-6-11-3-4-20-16(11)12(7-13)9-21-15-2-1-10(8-18)5-14(15)19/h1-2,5-7H,3-4,8-9H2
InChIKeySWFYYOBKLZLHRE-UHFFFAOYSA-N
XLogP4.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.63
LogP ≤ 54.84
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

5-bromo-7-[(2-fluoro-3-methylphenoxy)methyl]-2,3-dihydro-1-benzofuran
CID 107661972
2-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorobenzaldehyde
CID 107697879
2-[4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]ethanol
CID 107709496
4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene
CID 107691185
1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene
CID 107691124
5-bromo-7-[[4-(trifluoromethoxy)phenyl]methyl]-2,3-dihydro-1-benzofuran
CID 141414354
[2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]-5-fluorophenyl]methanamine
CID 107694893
2-bromo-1-[(4-bromo-2-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63536412
[2-[(5-chloro-2,3-dihydro-1-benzofuran-7-yl)methoxy]phenyl]-trifluoroboranuide
CID 113403343
1-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-2-(chloromethyl)imidazole
CID 113403434
4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
CID 107691116
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-5-chloro-3-fluoropyridin-2-amine
CID 104703166

Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-bromo-7-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzofuran (CID 107691282) is 5-bromo-7-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-bromo-7-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-bromo-7-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzofuran is Fc1cc(CCl)ccc1OCc1cc(Br)cc2c1OCC2.
What is the InChIKey of 5-bromo-7-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzofuran?
The InChIKey is SWFYYOBKLZLHRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClFO2/c17-13-6-11-3-4-20-16(11)12(7-13)9-21-15-2-1-10(8-18)5-14(15)19/h1-2,5-7H,3-4,8-9H2.
What are the key properties of 5-bromo-7-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzofuran?
5-bromo-7-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzofuran has a molecular weight of 371.63 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 107691282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).