2-bromo-4-(1-bromo-2-phenylbutyl)-1-fluorobenzene

C16H15Br2F — CID 79742324

IUPAC2-bromo-4-(1-bromo-2-phenylbutyl)-1-fluorobenzene
SMILESCCC(c1ccccc1)C(Br)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H15Br2F/c1-2-13(11-6-4-3-5-7-11)16(18)12-8-9-15(19)14(17)10-12/h3-10,13,16H,2H2,1H3
InChIKeyKGKCBRZGIKCJSN-UHFFFAOYSA-N
MW386.10 g/mol
LogP6.22
Rot. Bonds4

About 2-bromo-4-(1-bromo-2-phenylbutyl)-1-fluorobenzene

2-bromo-4-(1-bromo-2-phenylbutyl)-1-fluorobenzene (PubChem CID 79742324) has the molecular formula C16H15Br2F and a molecular weight of 386.10 g/mol. Its IUPAC name is 2-bromo-4-(1-bromo-2-phenylbutyl)-1-fluorobenzene.

Molecular Properties

Compound Name2-bromo-4-(1-bromo-2-phenylbutyl)-1-fluorobenzene
PubChem CID79742324
Molecular FormulaC16H15Br2F
Molecular Weight386.10 g/mol
Exact Mass383.95
IUPAC Name2-bromo-4-(1-bromo-2-phenylbutyl)-1-fluorobenzene
SMILESCCC(c1ccccc1)C(Br)c1ccc(F)c(Br)c1
InChIInChI=1S/C16H15Br2F/c1-2-13(11-6-4-3-5-7-11)16(18)12-8-9-15(19)14(17)10-12/h3-10,13,16H,2H2,1H3
InChIKeyKGKCBRZGIKCJSN-UHFFFAOYSA-N
XLogP6.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.10
LogP ≤ 56.22
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-(1-bromo-2-phenylbutyl)-4-fluorobenzene
CID 63437368
5-(1-bromo-2-phenylbutyl)-2-fluoro-1,3-dimethylbenzene
CID 65296612
N-[1-(3-bromo-4-fluorophenyl)ethyl]-1-phenylethanamine
CID 43755957
2-bromo-4-[bromo-(3-methylphenyl)methyl]-1-fluorobenzene
CID 79742867
(1S,2S)-1-(3-bromo-4-fluorophenyl)butane-1,2-diamine
CID 130863016
N-[(3-bromo-4-fluorophenyl)-(3-bromophenyl)methyl]ethanamine
CID 79747194
1-(5-bromo-2-fluorophenyl)-N-methyl-3-phenylpentan-2-amine
CID 115839364
2-bromo-4-(1-bromopentyl)-1-fluorobenzene
CID 79742692
1-bromo-5-(1-chloro-2-phenylbutyl)-2-fluoro-4-methoxybenzene
CID 103396168
1-(3-bromo-4-fluorophenyl)-N-(1-phenylethyl)ethane-1,2-diamine
CID 65193601
2-bromo-4-[bromo-(1-phenylcyclopropyl)methyl]-1-fluorobenzene
CID 79742516
1-(3-bromo-4-fluorophenyl)-3-ethylpentan-1-amine
CID 82922100

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(1-bromo-2-phenylbutyl)-1-fluorobenzene?
The IUPAC name of 2-bromo-4-(1-bromo-2-phenylbutyl)-1-fluorobenzene (CID 79742324) is 2-bromo-4-(1-bromo-2-phenylbutyl)-1-fluorobenzene.
What is the SMILES notation for 2-bromo-4-(1-bromo-2-phenylbutyl)-1-fluorobenzene?
The canonical SMILES for 2-bromo-4-(1-bromo-2-phenylbutyl)-1-fluorobenzene is CCC(c1ccccc1)C(Br)c1ccc(F)c(Br)c1.
What is the InChIKey of 2-bromo-4-(1-bromo-2-phenylbutyl)-1-fluorobenzene?
The InChIKey is KGKCBRZGIKCJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Br2F/c1-2-13(11-6-4-3-5-7-11)16(18)12-8-9-15(19)14(17)10-12/h3-10,13,16H,2H2,1H3.
What are the key properties of 2-bromo-4-(1-bromo-2-phenylbutyl)-1-fluorobenzene?
2-bromo-4-(1-bromo-2-phenylbutyl)-1-fluorobenzene has a molecular weight of 386.10 g/mol, XLogP of 6.22, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(1-bromo-2-phenylbutyl)-1-fluorobenzene is sourced from PubChem (CID 79742324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).