5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran

C16H13BrF2O2 — CID 107098626

IUPAC5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
SMILESFc1cc(Br)cc(OCCc2ccc3c(c2)CCO3)c1F
InChIInChI=1S/C16H13BrF2O2/c17-12-8-13(18)16(19)15(9-12)21-5-3-10-1-2-14-11(7-10)4-6-20-14/h1-2,7-9H,3-6H2
InChIKeyDUOZJHGOKUKSIL-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.28
Rot. Bonds4

About 5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran

5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran (PubChem CID 107098626) has the molecular formula C16H13BrF2O2 and a molecular weight of 355.18 g/mol. Its IUPAC name is 5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
PubChem CID107098626
Molecular FormulaC16H13BrF2O2
Molecular Weight355.18 g/mol
Exact Mass354.01
IUPAC Name5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
SMILESFc1cc(Br)cc(OCCc2ccc3c(c2)CCO3)c1F
InChIInChI=1S/C16H13BrF2O2/c17-12-8-13(18)16(19)15(9-12)21-5-3-10-1-2-14-11(7-10)4-6-20-14/h1-2,7-9H,3-6H2
InChIKeyDUOZJHGOKUKSIL-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-[2-[4-bromo-2-(bromomethyl)phenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65445258
4-bromo-3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]aniline
CID 103009282
4-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorobenzaldehyde
CID 102670873
5-[2-(2-chlorophenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 65441677
3-bromo-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-fluoroaniline
CID 65430275
5-[2-(4-bromo-3,5-dimethylphenoxy)ethyl]-2,3-dihydro-1-benzofuran
CID 107723704
1-[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]phenyl]-N-methylmethanamine
CID 65429354
5-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-2-fluoropyridine
CID 113296520
[2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-3-fluorophenyl]methanamine
CID 115952093
2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-5-methylaniline
CID 65430830
3-[2-(2,3-dihydro-1-benzofuran-5-yl)ethoxy]-4-methylaniline
CID 65430638
5-[2-[2-(chloromethyl)-4-methylphenoxy]ethyl]-2,3-dihydro-1-benzofuran
CID 65447152

Frequently Asked Questions

What is the IUPAC name of 5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran (CID 107098626) is 5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran is Fc1cc(Br)cc(OCCc2ccc3c(c2)CCO3)c1F.
What is the InChIKey of 5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran?
The InChIKey is DUOZJHGOKUKSIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrF2O2/c17-12-8-13(18)16(19)15(9-12)21-5-3-10-1-2-14-11(7-10)4-6-20-14/h1-2,7-9H,3-6H2.
What are the key properties of 5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran?
5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran has a molecular weight of 355.18 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(5-bromo-2,3-difluorophenoxy)ethyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 107098626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).