4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene

C18H20BrF — CID 115483034

IUPAC4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene
SMILESCCc1ccc(C(Br)Cc2ccccc2F)cc1CC
InChIInChI=1S/C18H20BrF/c1-3-13-9-10-15(11-14(13)4-2)17(19)12-16-7-5-6-8-18(16)20/h5-11,17H,3-4,12H2,1-2H3
InChIKeyQGOJMPFYIQLGSU-UHFFFAOYSA-N
MW335.26 g/mol
LogP5.63
Rot. Bonds5

About 4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene

4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene (PubChem CID 115483034) has the molecular formula C18H20BrF and a molecular weight of 335.26 g/mol. Its IUPAC name is 4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene.

Molecular Properties

Compound Name4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene
PubChem CID115483034
Molecular FormulaC18H20BrF
Molecular Weight335.26 g/mol
Exact Mass334.07
IUPAC Name4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene
SMILESCCc1ccc(C(Br)Cc2ccccc2F)cc1CC
InChIInChI=1S/C18H20BrF/c1-3-13-9-10-15(11-14(13)4-2)17(19)12-16-7-5-6-8-18(16)20/h5-11,17H,3-4,12H2,1-2H3
InChIKeyQGOJMPFYIQLGSU-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.26
LogP ≤ 55.63
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-[2-bromo-2-(4-butylphenyl)ethyl]-2-fluorobenzene
CID 63440261
4-[1-bromo-2-(3-bromophenyl)ethyl]-1,2-diethylbenzene
CID 115482941
1-[2-chloro-2-(3,4-diethylphenyl)ethyl]-2,3-difluorobenzene
CID 115482884
2-bromo-1-[bromo-(3,4-diethylphenyl)methyl]-3-fluorobenzene
CID 115482974
2-[1-bromo-2-(2-fluorophenyl)ethyl]-1,3-difluorobenzene
CID 55224470
1-bromo-4-[bromo-(3,4-diethylphenyl)methyl]-2-fluorobenzene
CID 115483032
4-[1-bromo-2-(2-methoxyphenyl)ethyl]-1,2-difluorobenzene
CID 63440149
2-[1-bromo-2-(2-fluorophenyl)ethyl]-5-ethylthiophene
CID 63439403
azane;1-ethyl-2-fluorobenzene
CID 66657049
4-(1-bromo-2,2,2-trifluoroethyl)-1,2-diethylbenzene
CID 115483023
(2-bromo-3-fluorophenyl)-(3,4-diethylphenyl)methanol
CID 115482749
4-[bromo-(2-methylsulfanylphenyl)methyl]-1,2-diethylbenzene
CID 115483069

Frequently Asked Questions

What is the IUPAC name of 4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene?
The IUPAC name of 4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene (CID 115483034) is 4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene.
What is the SMILES notation for 4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene?
The canonical SMILES for 4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene is CCc1ccc(C(Br)Cc2ccccc2F)cc1CC.
What is the InChIKey of 4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene?
The InChIKey is QGOJMPFYIQLGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrF/c1-3-13-9-10-15(11-14(13)4-2)17(19)12-16-7-5-6-8-18(16)20/h5-11,17H,3-4,12H2,1-2H3.
What are the key properties of 4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene?
4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene has a molecular weight of 335.26 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-bromo-2-(2-fluorophenyl)ethyl]-1,2-diethylbenzene is sourced from PubChem (CID 115483034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).