1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutan-1-amine

C10H8BrF4N — CID 117112984

IUPAC1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutan-1-amine
SMILESNC1(c2c(F)c(F)c(Br)c(F)c2F)CCC1
InChIInChI=1S/C10H8BrF4N/c11-5-8(14)6(12)4(7(13)9(5)15)10(16)2-1-3-10/h1-3,16H2
InChIKeyQVCNAHWCFJEVJL-UHFFFAOYSA-N
MW298.08 g/mol
LogP3.34
Rot. Bonds1

About 1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutan-1-amine

1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutan-1-amine (PubChem CID 117112984) has the molecular formula C10H8BrF4N and a molecular weight of 298.08 g/mol. Its IUPAC name is 1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutan-1-amine
PubChem CID117112984
Molecular FormulaC10H8BrF4N
Molecular Weight298.08 g/mol
Exact Mass296.98
IUPAC Name1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutan-1-amine
SMILESNC1(c2c(F)c(F)c(Br)c(F)c2F)CCC1
InChIInChI=1S/C10H8BrF4N/c11-5-8(14)6(12)4(7(13)9(5)15)10(16)2-1-3-10/h1-3,16H2
InChIKeyQVCNAHWCFJEVJL-UHFFFAOYSA-N
XLogP3.34
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.08
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-bromo-4-chloro-3,5,6-trifluorophenyl)cyclohexan-1-amine
CID 117114683
1-(3-bromo-2,6-difluoro-5-methylphenyl)cyclopentan-1-amine
CID 117468481
1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutane-1-carboxylic acid
CID 117114345
4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol
CID 117471497
2-(1-aminocyclopentyl)-4-bromo-3-fluorophenol
CID 84810334
1-(3-bromo-2-fluoro-6-methylphenyl)cyclopentan-1-amine
CID 84809683
1-(5-bromo-2,3-difluoro-6-methoxyphenyl)cyclobutan-1-amine
CID 117471538
1-(2,3,6-trifluoro-5-methoxyphenyl)cyclobutan-1-amine
CID 117333727
1-(2-bromo-6-fluoro-3-methylphenyl)cyclohexan-1-amine
CID 117461280
3-(1-aminocyclobutyl)-2,4-difluorophenol
CID 117288339
1-(5-bromo-2-fluoro-3,6-dimethylphenyl)cyclohexan-1-amine
CID 117483815
4-(1-aminocyclohexyl)-5-bromo-3-fluorobenzene-1,2-diol
CID 117489242

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutan-1-amine?
The IUPAC name of 1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutan-1-amine (CID 117112984) is 1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutan-1-amine.
What is the SMILES notation for 1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutan-1-amine?
The canonical SMILES for 1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutan-1-amine is NC1(c2c(F)c(F)c(Br)c(F)c2F)CCC1.
What is the InChIKey of 1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutan-1-amine?
The InChIKey is QVCNAHWCFJEVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrF4N/c11-5-8(14)6(12)4(7(13)9(5)15)10(16)2-1-3-10/h1-3,16H2.
What are the key properties of 1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutan-1-amine?
1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutan-1-amine has a molecular weight of 298.08 g/mol, XLogP of 3.34, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2,3,5,6-tetrafluorophenyl)cyclobutan-1-amine is sourced from PubChem (CID 117112984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).