3-bromo-N-(2-fluoroethyl)propan-1-amine

C5H11BrFN — CID 114293418

IUPAC3-bromo-N-(2-fluoroethyl)propan-1-amine
SMILESFCCNCCCBr
InChIInChI=1S/C5H11BrFN/c6-2-1-4-8-5-3-7/h8H,1-5H2
InChIKeyAFNLUVSYOWLJQI-UHFFFAOYSA-N
MW184.05 g/mol
LogP1.33
Rot. Bonds5

About 3-bromo-N-(2-fluoroethyl)propan-1-amine

3-bromo-N-(2-fluoroethyl)propan-1-amine (PubChem CID 114293418) has the molecular formula C5H11BrFN and a molecular weight of 184.05 g/mol. Its IUPAC name is 3-bromo-N-(2-fluoroethyl)propan-1-amine.

Molecular Properties

Compound Name3-bromo-N-(2-fluoroethyl)propan-1-amine
PubChem CID114293418
Molecular FormulaC5H11BrFN
Molecular Weight184.05 g/mol
Exact Mass183.01
IUPAC Name3-bromo-N-(2-fluoroethyl)propan-1-amine
SMILESFCCNCCCBr
InChIInChI=1S/C5H11BrFN/c6-2-1-4-8-5-3-7/h8H,1-5H2
InChIKeyAFNLUVSYOWLJQI-UHFFFAOYSA-N
XLogP1.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.05
LogP ≤ 51.33
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

2-Bromo-N-(2-fluoroethyl)ethan-1-amine--hydrogen chloride (1/1)
CID 58197
(3-Bromopropyl)(methyl)amine
CID 11105543
(1S)-2-bromo-1-fluoro-N-methylpropan-1-amine
CID 126612534
(2R)-2-bromo-1-fluoro-N-methylpropan-1-amine
CID 148229447
(2R)-1-bromo-2-fluoro-N-methylpropan-1-amine
CID 169846331
(1R)-2-bromo-1-fluoro-N-methylpropan-1-amine
CID 174102520
2-bromo-N-(2-fluoroethyl)ethan-1-amine
CID 58198
3-bromo-N-(3-bromo-2-fluoropropyl)-2-fluoropropan-1-amine
CID 12032289
4-bromo-N-(2-fluoroethyl)butan-2-amine
CID 83179680
4-bromo-N-(2,2,2-trifluoroethyl)butan-2-amine
CID 83186489
4-bromo-N-(2,2-difluoroethyl)butan-2-amine
CID 83187025
4-bromo-N-(3,3,3-trifluoropropyl)butan-2-amine
CID 83188000

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-fluoroethyl)propan-1-amine?
The IUPAC name of 3-bromo-N-(2-fluoroethyl)propan-1-amine (CID 114293418) is 3-bromo-N-(2-fluoroethyl)propan-1-amine.
What is the SMILES notation for 3-bromo-N-(2-fluoroethyl)propan-1-amine?
The canonical SMILES for 3-bromo-N-(2-fluoroethyl)propan-1-amine is FCCNCCCBr.
What is the InChIKey of 3-bromo-N-(2-fluoroethyl)propan-1-amine?
The InChIKey is AFNLUVSYOWLJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BrFN/c6-2-1-4-8-5-3-7/h8H,1-5H2.
What are the key properties of 3-bromo-N-(2-fluoroethyl)propan-1-amine?
3-bromo-N-(2-fluoroethyl)propan-1-amine has a molecular weight of 184.05 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-fluoroethyl)propan-1-amine is sourced from PubChem (CID 114293418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).