1-bromo-2-(4-chloro-4-cyclopropylbutyl)-4-fluorobenzene

C13H15BrClF — CID 64506873

IUPAC1-bromo-2-(4-chloro-4-cyclopropylbutyl)-4-fluorobenzene
SMILESFc1ccc(Br)c(CCCC(Cl)C2CC2)c1
InChIInChI=1S/C13H15BrClF/c14-12-7-6-11(16)8-10(12)2-1-3-13(15)9-4-5-9/h6-9,13H,1-5H2
InChIKeyDTYSXQNCKDESMJ-UHFFFAOYSA-N
MW305.62 g/mol
LogP4.93
Rot. Bonds5

About 1-bromo-2-(4-chloro-4-cyclopropylbutyl)-4-fluorobenzene

1-bromo-2-(4-chloro-4-cyclopropylbutyl)-4-fluorobenzene (PubChem CID 64506873) has the molecular formula C13H15BrClF and a molecular weight of 305.62 g/mol. Its IUPAC name is 1-bromo-2-(4-chloro-4-cyclopropylbutyl)-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-(4-chloro-4-cyclopropylbutyl)-4-fluorobenzene
PubChem CID64506873
Molecular FormulaC13H15BrClF
Molecular Weight305.62 g/mol
Exact Mass304.00
IUPAC Name1-bromo-2-(4-chloro-4-cyclopropylbutyl)-4-fluorobenzene
SMILESFc1ccc(Br)c(CCCC(Cl)C2CC2)c1
InChIInChI=1S/C13H15BrClF/c14-12-7-6-11(16)8-10(12)2-1-3-13(15)9-4-5-9/h6-9,13H,1-5H2
InChIKeyDTYSXQNCKDESMJ-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.62
LogP ≤ 54.93
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

4-(2-bromo-5-fluorophenyl)-1-cyclopropylbutan-1-amine
CID 64505589
1-(2-bromo-5-fluorophenyl)heptan-4-ol
CID 64516046
1-bromo-4-fluoro-2-(2-iodoethyl)benzene
CID 129177229
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-1-(4-fluorophenyl)methanamine
CID 61015900
4-amino-1-(2-bromo-5-fluorophenyl)-4-cyclopropylbutan-2-one
CID 116608732
1-bromo-2-(3-bromo-3-phenylpropyl)-4-fluorobenzene
CID 55192636
3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-ol
CID 116712649
3-(2-bromo-5-fluorophenyl)-1-cyclopropyl-1-methoxypropan-2-amine
CID 116721854
3-(2-bromo-5-fluorophenyl)propanal
CID 53434280
2-(2-bromo-5-fluorophenyl)-1-cycloheptyl-N-methylethanamine
CID 65398871
4-(2-bromo-5-fluorophenyl)-2-methylbutanal
CID 64664097
1-bromo-2-[(2-bromo-5-propan-2-ylcyclohexyl)methyl]-4-fluorobenzene
CID 63471295

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(4-chloro-4-cyclopropylbutyl)-4-fluorobenzene?
The IUPAC name of 1-bromo-2-(4-chloro-4-cyclopropylbutyl)-4-fluorobenzene (CID 64506873) is 1-bromo-2-(4-chloro-4-cyclopropylbutyl)-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-(4-chloro-4-cyclopropylbutyl)-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-(4-chloro-4-cyclopropylbutyl)-4-fluorobenzene is Fc1ccc(Br)c(CCCC(Cl)C2CC2)c1.
What is the InChIKey of 1-bromo-2-(4-chloro-4-cyclopropylbutyl)-4-fluorobenzene?
The InChIKey is DTYSXQNCKDESMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClF/c14-12-7-6-11(16)8-10(12)2-1-3-13(15)9-4-5-9/h6-9,13H,1-5H2.
What are the key properties of 1-bromo-2-(4-chloro-4-cyclopropylbutyl)-4-fluorobenzene?
1-bromo-2-(4-chloro-4-cyclopropylbutyl)-4-fluorobenzene has a molecular weight of 305.62 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(4-chloro-4-cyclopropylbutyl)-4-fluorobenzene is sourced from PubChem (CID 64506873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).