2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan

C12H9BrClFO2 — CID 106855501

IUPAC2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan
SMILESCOc1ccc(F)cc1C(Cl)c1ccoc1Br
InChIInChI=1S/C12H9BrClFO2/c1-16-10-3-2-7(15)6-9(10)11(14)8-4-5-17-12(8)13/h2-6,11H,1H3
InChIKeyKBQMMBBAHWTXFM-UHFFFAOYSA-N
MW319.56 g/mol
LogP4.52
Rot. Bonds3

About 2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan

2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan (PubChem CID 106855501) has the molecular formula C12H9BrClFO2 and a molecular weight of 319.56 g/mol. Its IUPAC name is 2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan.

Molecular Properties

Compound Name2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan
PubChem CID106855501
Molecular FormulaC12H9BrClFO2
Molecular Weight319.56 g/mol
Exact Mass317.95
IUPAC Name2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan
SMILESCOc1ccc(F)cc1C(Cl)c1ccoc1Br
InChIInChI=1S/C12H9BrClFO2/c1-16-10-3-2-7(15)6-9(10)11(14)8-4-5-17-12(8)13/h2-6,11H,1H3
InChIKeyKBQMMBBAHWTXFM-UHFFFAOYSA-N
XLogP4.52
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.56
LogP ≤ 54.52
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

3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]-2-methylfuran
CID 61086437
N-[(2-bromofuran-3-yl)-(5-fluoro-2-methoxyphenyl)methyl]ethanamine
CID 106851642
2-bromo-3-[chloro-(2,4-difluorophenyl)methyl]furan
CID 106855486
2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan
CID 61083604
2-bromo-3-[chloro-(2,5-dichloro-4-methoxyphenyl)methyl]furan
CID 106855701
2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61085421
1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2-chloro-4-fluorobenzene
CID 63427282
1-bromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene
CID 103396203
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene
CID 114020376
4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene
CID 55198482
1,3-dichloro-2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene
CID 63433354

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan?
The IUPAC name of 2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan (CID 106855501) is 2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan.
What is the SMILES notation for 2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan?
The canonical SMILES for 2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan is COc1ccc(F)cc1C(Cl)c1ccoc1Br.
What is the InChIKey of 2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan?
The InChIKey is KBQMMBBAHWTXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClFO2/c1-16-10-3-2-7(15)6-9(10)11(14)8-4-5-17-12(8)13/h2-6,11H,1H3.
What are the key properties of 2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan?
2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan has a molecular weight of 319.56 g/mol, XLogP of 4.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan is sourced from PubChem (CID 106855501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).