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

C13H15BrClF — CID 103041712

IUPAC4-(4-bromo-4-cyclopropylbutyl)-2-chloro-1-fluorobenzene
SMILESFc1ccc(CCCC(Br)C2CC2)cc1Cl
InChIInChI=1S/C13H15BrClF/c14-11(10-5-6-10)3-1-2-9-4-7-13(16)12(15)8-9/h4,7-8,10-11H,1-3,5-6H2
InChIKeyIIUGRJDCZGLGFY-UHFFFAOYSA-N
MW305.62 g/mol
LogP4.98
Rot. Bonds5

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

4-(4-bromo-4-cyclopropylbutyl)-2-chloro-1-fluorobenzene (PubChem CID 103041712) has the molecular formula C13H15BrClF and a molecular weight of 305.62 g/mol. Its IUPAC name is 4-(4-bromo-4-cyclopropylbutyl)-2-chloro-1-fluorobenzene.

Molecular Properties

Compound Name4-(4-bromo-4-cyclopropylbutyl)-2-chloro-1-fluorobenzene
PubChem CID103041712
Molecular FormulaC13H15BrClF
Molecular Weight305.62 g/mol
Exact Mass304.00
IUPAC Name4-(4-bromo-4-cyclopropylbutyl)-2-chloro-1-fluorobenzene
SMILESFc1ccc(CCCC(Br)C2CC2)cc1Cl
InChIInChI=1S/C13H15BrClF/c14-11(10-5-6-10)3-1-2-9-4-7-13(16)12(15)8-9/h4,7-8,10-11H,1-3,5-6H2
InChIKeyIIUGRJDCZGLGFY-UHFFFAOYSA-N
XLogP4.98
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 ≤ 54.98
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-(3-bromo-3-cyclopropylpropyl)-4-chlorobenzene
CID 63471892
2-chloro-4-(4-chlorohexyl)-1-fluorobenzene
CID 103041700
2-chloro-4-(cyclopropylmethyl)-1-fluorobenzene
CID 155293823
N-[2-(3-chloro-4-fluorophenyl)ethyl]cyclopropanamine
CID 80503769
4-(4-bromo-3-methylbutyl)-2-chloro-1-fluorobenzene
CID 103041716
2-chloro-4-(3-chloropentyl)-1-fluorobenzene
CID 103040835
3-(3-chloro-4-fluorophenyl)-1-cyclopentylpropan-1-one
CID 103038591
4-(3-chloro-3-cyclopropylpropyl)-1,2-difluorobenzene
CID 64506874
N-[(3-chloro-4-fluorophenyl)methyl]-1-cyclopropylpropan-2-amine
CID 81145628
4-(3-chloro-4-fluorophenyl)-N-ethyl-1-phenylbutan-1-amine
CID 103041652
2-(3-chloro-4-fluorophenyl)-1-(4-propylcyclohexyl)ethanol
CID 103039609
2-(3-chloro-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 103040140

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-4-cyclopropylbutyl)-2-chloro-1-fluorobenzene?
The IUPAC name of 4-(4-bromo-4-cyclopropylbutyl)-2-chloro-1-fluorobenzene (CID 103041712) is 4-(4-bromo-4-cyclopropylbutyl)-2-chloro-1-fluorobenzene.
What is the SMILES notation for 4-(4-bromo-4-cyclopropylbutyl)-2-chloro-1-fluorobenzene?
The canonical SMILES for 4-(4-bromo-4-cyclopropylbutyl)-2-chloro-1-fluorobenzene is Fc1ccc(CCCC(Br)C2CC2)cc1Cl.
What is the InChIKey of 4-(4-bromo-4-cyclopropylbutyl)-2-chloro-1-fluorobenzene?
The InChIKey is IIUGRJDCZGLGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClF/c14-11(10-5-6-10)3-1-2-9-4-7-13(16)12(15)8-9/h4,7-8,10-11H,1-3,5-6H2.
What are the key properties of 4-(4-bromo-4-cyclopropylbutyl)-2-chloro-1-fluorobenzene?
4-(4-bromo-4-cyclopropylbutyl)-2-chloro-1-fluorobenzene has a molecular weight of 305.62 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-4-cyclopropylbutyl)-2-chloro-1-fluorobenzene is sourced from PubChem (CID 103041712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).