6-bromo-N-(2-fluoroethyl)-N-propylhexan-1-amine

C11H23BrFN — CID 58019308

IUPAC6-bromo-N-(2-fluoroethyl)-N-propylhexan-1-amine
SMILESCCCN(CCF)CCCCCCBr
InChIInChI=1S/C11H23BrFN/c1-2-9-14(11-8-13)10-6-4-3-5-7-12/h2-11H2,1H3
InChIKeyWNYCNVYBQYRFLG-UHFFFAOYSA-N
MW268.21 g/mol
LogP3.62
Rot. Bonds10

About 6-bromo-N-(2-fluoroethyl)-N-propylhexan-1-amine

6-bromo-N-(2-fluoroethyl)-N-propylhexan-1-amine (PubChem CID 58019308) has the molecular formula C11H23BrFN and a molecular weight of 268.21 g/mol. Its IUPAC name is 6-bromo-N-(2-fluoroethyl)-N-propylhexan-1-amine.

Molecular Properties

Compound Name6-bromo-N-(2-fluoroethyl)-N-propylhexan-1-amine
PubChem CID58019308
Molecular FormulaC11H23BrFN
Molecular Weight268.21 g/mol
Exact Mass267.10
IUPAC Name6-bromo-N-(2-fluoroethyl)-N-propylhexan-1-amine
SMILESCCCN(CCF)CCCCCCBr
InChIInChI=1S/C11H23BrFN/c1-2-9-14(11-8-13)10-6-4-3-5-7-12/h2-11H2,1H3
InChIKeyWNYCNVYBQYRFLG-UHFFFAOYSA-N
XLogP3.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 53.62
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2-fluoroethyl)-N-propylhexan-1-amine?
The IUPAC name of 6-bromo-N-(2-fluoroethyl)-N-propylhexan-1-amine (CID 58019308) is 6-bromo-N-(2-fluoroethyl)-N-propylhexan-1-amine.
What is the SMILES notation for 6-bromo-N-(2-fluoroethyl)-N-propylhexan-1-amine?
The canonical SMILES for 6-bromo-N-(2-fluoroethyl)-N-propylhexan-1-amine is CCCN(CCF)CCCCCCBr.
What is the InChIKey of 6-bromo-N-(2-fluoroethyl)-N-propylhexan-1-amine?
The InChIKey is WNYCNVYBQYRFLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23BrFN/c1-2-9-14(11-8-13)10-6-4-3-5-7-12/h2-11H2,1H3.
What are the key properties of 6-bromo-N-(2-fluoroethyl)-N-propylhexan-1-amine?
6-bromo-N-(2-fluoroethyl)-N-propylhexan-1-amine has a molecular weight of 268.21 g/mol, XLogP of 3.62, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2-fluoroethyl)-N-propylhexan-1-amine is sourced from PubChem (CID 58019308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).