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

C12H8Br2F2O — CID 79731362

IUPAC2-bromo-5-[bromo-(2,4-difluoro-5-methylphenyl)methyl]furan
SMILESCc1cc(C(Br)c2ccc(Br)o2)c(F)cc1F
InChIInChI=1S/C12H8Br2F2O/c1-6-4-7(9(16)5-8(6)15)12(14)10-2-3-11(13)17-10/h2-5,12H,1H3
InChIKeySWGUHEKHJUKNEK-UHFFFAOYSA-N
MW366.00 g/mol
LogP5.11
Rot. Bonds2

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

2-bromo-5-[bromo-(2,4-difluoro-5-methylphenyl)methyl]furan (PubChem CID 79731362) has the molecular formula C12H8Br2F2O and a molecular weight of 366.00 g/mol. Its IUPAC name is 2-bromo-5-[bromo-(2,4-difluoro-5-methylphenyl)methyl]furan.

Molecular Properties

Compound Name2-bromo-5-[bromo-(2,4-difluoro-5-methylphenyl)methyl]furan
PubChem CID79731362
Molecular FormulaC12H8Br2F2O
Molecular Weight366.00 g/mol
Exact Mass363.89
IUPAC Name2-bromo-5-[bromo-(2,4-difluoro-5-methylphenyl)methyl]furan
SMILESCc1cc(C(Br)c2ccc(Br)o2)c(F)cc1F
InChIInChI=1S/C12H8Br2F2O/c1-6-4-7(9(16)5-8(6)15)12(14)10-2-3-11(13)17-10/h2-5,12H,1H3
InChIKeySWGUHEKHJUKNEK-UHFFFAOYSA-N
XLogP5.11
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.00
LogP ≤ 55.11
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-(4-fluoro-3-methylphenyl)methyl]furan
CID 79746986
2-[bromo-(2,5-difluoro-4-methylphenyl)methyl]-5-chlorofuran
CID 106689180
1-[bromo-(2-methylphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79731627
1-[bromo-(2-methylsulfanylphenyl)methyl]-2,4-difluoro-5-methylbenzene
CID 79730436
2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan
CID 83068143
2-bromo-5-[bromo-(2-bromo-4,5-dimethoxyphenyl)methyl]furan
CID 63440860
2-bromo-5-[bromo-(2-bromo-4-methoxyphenyl)methyl]furan
CID 63443265
1-(1-bromo-2,2,3,3-tetrafluoropropyl)-2,4-difluoro-5-methylbenzene
CID 79730616
(5-chlorofuran-2-yl)-(2,4-difluoro-5-methylphenyl)methanamine
CID 106684492
1-[1-bromo-2-(4-bromophenyl)ethyl]-2,4-difluoro-5-methylbenzene
CID 79730434
3-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-1-benzothiophene
CID 79731199
2-[bromo-(2,4-difluoro-5-methylphenyl)methyl]-3-chloro-4-methylthiophene
CID 103404833

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[bromo-(2,4-difluoro-5-methylphenyl)methyl]furan?
The IUPAC name of 2-bromo-5-[bromo-(2,4-difluoro-5-methylphenyl)methyl]furan (CID 79731362) is 2-bromo-5-[bromo-(2,4-difluoro-5-methylphenyl)methyl]furan.
What is the SMILES notation for 2-bromo-5-[bromo-(2,4-difluoro-5-methylphenyl)methyl]furan?
The canonical SMILES for 2-bromo-5-[bromo-(2,4-difluoro-5-methylphenyl)methyl]furan is Cc1cc(C(Br)c2ccc(Br)o2)c(F)cc1F.
What is the InChIKey of 2-bromo-5-[bromo-(2,4-difluoro-5-methylphenyl)methyl]furan?
The InChIKey is SWGUHEKHJUKNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Br2F2O/c1-6-4-7(9(16)5-8(6)15)12(14)10-2-3-11(13)17-10/h2-5,12H,1H3.
What are the key properties of 2-bromo-5-[bromo-(2,4-difluoro-5-methylphenyl)methyl]furan?
2-bromo-5-[bromo-(2,4-difluoro-5-methylphenyl)methyl]furan has a molecular weight of 366.00 g/mol, XLogP of 5.11, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[bromo-(2,4-difluoro-5-methylphenyl)methyl]furan is sourced from PubChem (CID 79731362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).