2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran

C12H8BrClF2O — CID 106689180

IUPAC2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran
SMILESCc1cc(F)c(C(Br)c2ccc(Cl)o2)cc1F
InChIInChI=1S/C12H8BrClF2O/c1-6-4-9(16)7(5-8(6)15)12(13)10-2-3-11(14)17-10/h2-5,12H,1H3
InChIKeyLOLJXIFRMVXOHX-UHFFFAOYSA-N
MW321.55 g/mol
LogP5.00
Rot. Bonds2

About 2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran

2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran (PubChem CID 106689180) has the molecular formula C12H8BrClF2O and a molecular weight of 321.55 g/mol. Its IUPAC name is 2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran.

Molecular Properties

Compound Name2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran
PubChem CID106689180
Molecular FormulaC12H8BrClF2O
Molecular Weight321.55 g/mol
Exact Mass319.94
IUPAC Name2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran
SMILESCc1cc(F)c(C(Br)c2ccc(Cl)o2)cc1F
InChIInChI=1S/C12H8BrClF2O/c1-6-4-9(16)7(5-8(6)15)12(13)10-2-3-11(14)17-10/h2-5,12H,1H3
InChIKeyLOLJXIFRMVXOHX-UHFFFAOYSA-N
XLogP5.00
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.55
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-[bromo-(2,4-difluoro-5-methylphenyl)methyl]furan
CID 79731362
(5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 106684492
2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran
CID 106689080
1-[bromo-(5-chloro-2-methylphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304482
1-[(5-bromo-2-iodophenyl)-chloromethyl]-2,5-difluoro-4-methylbenzene
CID 114033442
1-[bromo-(4-bromo-2-chlorophenyl)methyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81050980
1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79731627
(5-chlorofuran-2-yl)-(4-fluoro-2-methylphenyl)methanamine
CID 106691945
2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene
CID 103404833
2-[bromo-(4-bromophenyl)methyl]-5-chlorofuran
CID 106689046
2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan
CID 79746986
7-bromo-8-[bromo-(5-chlorofuran-2-yl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 106689094

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran?
The IUPAC name of 2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran (CID 106689180) is 2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran.
What is the SMILES notation for 2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran?
The canonical SMILES for 2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran is Cc1cc(F)c(C(Br)c2ccc(Cl)o2)cc1F.
What is the InChIKey of 2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran?
The InChIKey is LOLJXIFRMVXOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF2O/c1-6-4-9(16)7(5-8(6)15)12(13)10-2-3-11(14)17-10/h2-5,12H,1H3.
What are the key properties of 2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran?
2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran has a molecular weight of 321.55 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran is sourced from PubChem (CID 106689180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).