4-bromo-N-(2-fluoroethyl)butan-1-amine

C6H13BrFN — CID 106844819

IUPAC4-bromo-N-(2-fluoroethyl)butan-1-amine
SMILESFCCNCCCCBr
InChIInChI=1S/C6H13BrFN/c7-3-1-2-5-9-6-4-8/h9H,1-6H2
InChIKeyFUZBPBFZIQBACS-UHFFFAOYSA-N
MW198.08 g/mol
LogP1.72
Rot. Bonds6

About 4-bromo-N-(2-fluoroethyl)butan-1-amine

4-bromo-N-(2-fluoroethyl)butan-1-amine (PubChem CID 106844819) has the molecular formula C6H13BrFN and a molecular weight of 198.08 g/mol. Its IUPAC name is 4-bromo-N-(2-fluoroethyl)butan-1-amine.

Molecular Properties

Compound Name4-bromo-N-(2-fluoroethyl)butan-1-amine
PubChem CID106844819
Molecular FormulaC6H13BrFN
Molecular Weight198.08 g/mol
Exact Mass197.02
IUPAC Name4-bromo-N-(2-fluoroethyl)butan-1-amine
SMILESFCCNCCCCBr
InChIInChI=1S/C6H13BrFN/c7-3-1-2-5-9-6-4-8/h9H,1-6H2
InChIKeyFUZBPBFZIQBACS-UHFFFAOYSA-N
XLogP1.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.08
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

rac-(3R,4R)-3-bromo-4-fluoropyrrolidine
CID 146049273
(2R)-1-bromo-2-fluoro-N-methylpropan-1-amine
CID 169846331
2-Bromo-4-fluoropyrrolidine
CID 173621514
4-Bromo-2-fluoropyrrolidine
CID 175173864
2-Bromo-3-fluoropiperidine
CID 176161477
N-3-bromopropylputrescine
CID 14952179
2-bromo-N-(2-fluoroethyl)ethan-1-amine
CID 58198
3-bromo-N-(3-bromo-2-fluoropropyl)-2-fluoropropan-1-amine
CID 12032289
2-Bromo-5-fluoropiperidine
CID 42628782
4-bromo-N-(2-fluoroethyl)butan-2-amine
CID 83179680
4-bromo-N-(3-fluoropropyl)butan-2-amine
CID 83188128
4-bromo-N-(2-fluoroethyl)pentan-2-amine
CID 104109845

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-fluoroethyl)butan-1-amine?
The IUPAC name of 4-bromo-N-(2-fluoroethyl)butan-1-amine (CID 106844819) is 4-bromo-N-(2-fluoroethyl)butan-1-amine.
What is the SMILES notation for 4-bromo-N-(2-fluoroethyl)butan-1-amine?
The canonical SMILES for 4-bromo-N-(2-fluoroethyl)butan-1-amine is FCCNCCCCBr.
What is the InChIKey of 4-bromo-N-(2-fluoroethyl)butan-1-amine?
The InChIKey is FUZBPBFZIQBACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrFN/c7-3-1-2-5-9-6-4-8/h9H,1-6H2.
What are the key properties of 4-bromo-N-(2-fluoroethyl)butan-1-amine?
4-bromo-N-(2-fluoroethyl)butan-1-amine has a molecular weight of 198.08 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-fluoroethyl)butan-1-amine is sourced from PubChem (CID 106844819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).