2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene

C17H17BrClF — CID 107958899

IUPAC2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene
SMILESCCc1ccc(CC)c(C(Cl)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C17H17BrClF/c1-3-11-5-6-12(4-2)14(9-11)17(19)13-7-8-16(20)15(18)10-13/h5-10,17H,3-4H2,1-2H3
InChIKeyGHLRRSPSWLEKKE-UHFFFAOYSA-N
MW355.68 g/mol
LogP6.04
Rot. Bonds4

About 2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene

2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene (PubChem CID 107958899) has the molecular formula C17H17BrClF and a molecular weight of 355.68 g/mol. Its IUPAC name is 2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene
PubChem CID107958899
Molecular FormulaC17H17BrClF
Molecular Weight355.68 g/mol
Exact Mass354.02
IUPAC Name2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene
SMILESCCc1ccc(CC)c(C(Cl)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C17H17BrClF/c1-3-11-5-6-12(4-2)14(9-11)17(19)13-7-8-16(20)15(18)10-13/h5-10,17H,3-4H2,1-2H3
InChIKeyGHLRRSPSWLEKKE-UHFFFAOYSA-N
XLogP6.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.68
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-chloro-4-[chloro-(2,5-diethylphenyl)methyl]benzene
CID 81308392
2-chloro-1-[chloro-(2,5-diethylphenyl)methyl]-3-fluorobenzene
CID 81461295
(3-bromo-4-chlorophenyl)-(2,5-diethylphenyl)methanol
CID 107991251
2-bromo-4-[chloro-(3,4-difluorophenyl)methyl]-1-fluorobenzene
CID 79747375
2-bromo-4-(3-chlorobutan-2-yl)-1-fluorobenzene
CID 66471050
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-2-fluoro-4,5-dimethoxybenzene
CID 107958879
1-[(3-bromo-4-fluorophenyl)-chloromethyl]-4-chloro-2,5-dimethylbenzene
CID 107958916
2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]-2,5-dimethoxybenzene
CID 107959191
2-[(4-bromo-2-methoxyphenyl)-chloromethyl]-1,4-diethylbenzene
CID 115369895
2-bromo-4-(dichloromethyl)-1-fluorobenzene
CID 70539346
1-[chloro-(3,4-diethylphenyl)methyl]-2-fluoro-4-methylbenzene
CID 115482844

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene?
The IUPAC name of 2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene (CID 107958899) is 2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene is CCc1ccc(CC)c(C(Cl)c2ccc(F)c(Br)c2)c1.
What is the InChIKey of 2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene?
The InChIKey is GHLRRSPSWLEKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClF/c1-3-11-5-6-12(4-2)14(9-11)17(19)13-7-8-16(20)15(18)10-13/h5-10,17H,3-4H2,1-2H3.
What are the key properties of 2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene?
2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene has a molecular weight of 355.68 g/mol, XLogP of 6.04, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[chloro-(2,5-diethylphenyl)methyl]-1-fluorobenzene is sourced from PubChem (CID 107958899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).