1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine

C10H10BrClFN — CID 117446827

IUPAC1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine
SMILESNC1(c2cc(F)c(Br)c(Cl)c2)CCC1
InChIInChI=1S/C10H10BrClFN/c11-9-7(12)4-6(5-8(9)13)10(14)2-1-3-10/h4-5H,1-3,14H2
InChIKeyBCUVMWYZSYJUHU-UHFFFAOYSA-N
MW278.55 g/mol
LogP3.58
Rot. Bonds1

About 1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine

1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine (PubChem CID 117446827) has the molecular formula C10H10BrClFN and a molecular weight of 278.55 g/mol. Its IUPAC name is 1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine
PubChem CID117446827
Molecular FormulaC10H10BrClFN
Molecular Weight278.55 g/mol
Exact Mass276.97
IUPAC Name1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine
SMILESNC1(c2cc(F)c(Br)c(Cl)c2)CCC1
InChIInChI=1S/C10H10BrClFN/c11-9-7(12)4-6(5-8(9)13)10(14)2-1-3-10/h4-5H,1-3,14H2
InChIKeyBCUVMWYZSYJUHU-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.55
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloro-4,5-difluorophenyl)cyclobutan-1-amine
CID 117310208
1-(4-chloro-3-fluorophenyl)cyclobutan-1-amine
CID 82607558
1-(3-chloro-4-fluorophenyl)cyclobutan-1-amine;hydrochloride
CID 129033048
4-(1-aminocyclopropyl)-2-chloro-6-fluorophenol
CID 84776486
5-(1-aminocyclohexyl)-3-chloro-2-fluorophenol
CID 84802250
1-(3-chloro-4-fluoro-5-methylphenyl)cyclohexan-1-amine
CID 117356600
5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol
CID 117301230
1-(4-bromo-3,5-difluorophenyl)cyclobutan-1-ol
CID 164896669
1-(3-fluoro-4-methylphenyl)cyclobutan-1-amine
CID 117278095
1-(3-fluoro-5-methoxy-4-propan-2-ylphenyl)cyclobutan-1-amine
CID 117347276
1-(3,5-difluoro-4-methylphenyl)cyclopropan-1-amine
CID 84768955
1-(3,4-dichlorophenyl)cycloheptan-1-amine
CID 43164287

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine?
The IUPAC name of 1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine (CID 117446827) is 1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine is NC1(c2cc(F)c(Br)c(Cl)c2)CCC1.
What is the InChIKey of 1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine?
The InChIKey is BCUVMWYZSYJUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClFN/c11-9-7(12)4-6(5-8(9)13)10(14)2-1-3-10/h4-5H,1-3,14H2.
What are the key properties of 1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine?
1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine has a molecular weight of 278.55 g/mol, XLogP of 3.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-chloro-5-fluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 117446827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).