N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine

C8H15BrFN — CID 102860754

IUPACN-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine
SMILESFCCN(CCBr)C1CCC1
InChIInChI=1S/C8H15BrFN/c9-4-6-11(7-5-10)8-2-1-3-8/h8H,1-7H2
InChIKeyVUGQIPKFPDUNDQ-UHFFFAOYSA-N
MW224.12 g/mol
LogP2.21
Rot. Bonds5

About N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine

N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine (PubChem CID 102860754) has the molecular formula C8H15BrFN and a molecular weight of 224.12 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine
PubChem CID102860754
Molecular FormulaC8H15BrFN
Molecular Weight224.12 g/mol
Exact Mass223.04
IUPAC NameN-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine
SMILESFCCN(CCBr)C1CCC1
InChIInChI=1S/C8H15BrFN/c9-4-6-11(7-5-10)8-2-1-3-8/h8H,1-7H2
InChIKeyVUGQIPKFPDUNDQ-UHFFFAOYSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.12
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine?
The IUPAC name of N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine (CID 102860754) is N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine?
The canonical SMILES for N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine is FCCN(CCBr)C1CCC1.
What is the InChIKey of N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine?
The InChIKey is VUGQIPKFPDUNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrFN/c9-4-6-11(7-5-10)8-2-1-3-8/h8H,1-7H2.
What are the key properties of N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine?
N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine has a molecular weight of 224.12 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine is sourced from PubChem (CID 102860754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).