2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan

C12H9Br2FO — CID 79746986

IUPAC2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan
SMILESCc1cc(C(Br)c2ccc(Br)o2)ccc1F
InChIInChI=1S/C12H9Br2FO/c1-7-6-8(2-3-9(7)15)12(14)10-4-5-11(13)16-10/h2-6,12H,1H3
InChIKeyOVZXTCHNFZIFPG-UHFFFAOYSA-N
MW348.01 g/mol
LogP4.97
Rot. Bonds2

About 2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan

2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan (PubChem CID 79746986) has the molecular formula C12H9Br2FO and a molecular weight of 348.01 g/mol. Its IUPAC name is 2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan.

Molecular Properties

Compound Name2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan
PubChem CID79746986
Molecular FormulaC12H9Br2FO
Molecular Weight348.01 g/mol
Exact Mass345.90
IUPAC Name2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan
SMILESCc1cc(C(Br)c2ccc(Br)o2)ccc1F
InChIInChI=1S/C12H9Br2FO/c1-7-6-8(2-3-9(7)15)12(14)10-4-5-11(13)16-10/h2-6,12H,1H3
InChIKeyOVZXTCHNFZIFPG-UHFFFAOYSA-N
XLogP4.97
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.01
LogP ≤ 54.97
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
2-bromo-5-[bromo-(4-methoxy-3,5-dimethylphenyl)methyl]furan
CID 83068143
4-[bromo-(3-bromophenyl)methyl]-1-fluoro-2-methylbenzene
CID 79746903
2-bromo-5-[bromo-(3,4-diethylphenyl)methyl]furan
CID 115483045
4-bromo-1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-methylbenzene
CID 79747238
2-bromo-4-[bromo-(4-fluoro-3-methylphenyl)methyl]-1-chlorobenzene
CID 114024957
4-[bromo-(3-chloro-4-methylphenyl)methyl]-1-fluoro-2-methylbenzene
CID 79747074
4-[(1R)-1-bromo-2,2,2-trifluoroethyl]-1-fluoro-2-methylbenzene
CID 124512118
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-4-chloro-2-methylbenzene
CID 114028122
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2,4-dimethylbenzene
CID 55199902
2-[bromo-(3,4-difluorophenyl)methyl]-5-chlorofuran
CID 106689080
3-[bromo-(4-fluoro-3-methylphenyl)methyl]thiophene
CID 79746992

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan?
The IUPAC name of 2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan (CID 79746986) is 2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan.
What is the SMILES notation for 2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan?
The canonical SMILES for 2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan is Cc1cc(C(Br)c2ccc(Br)o2)ccc1F.
What is the InChIKey of 2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan?
The InChIKey is OVZXTCHNFZIFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br2FO/c1-7-6-8(2-3-9(7)15)12(14)10-4-5-11(13)16-10/h2-6,12H,1H3.
What are the key properties of 2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan?
2-bromo-5-[bromo-(4-fluoro-3-methylphenyl)methyl]furan has a molecular weight of 348.01 g/mol, XLogP of 4.97, 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-(4-fluoro-3-methylphenyl)methyl]furan is sourced from PubChem (CID 79746986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).