3-bromo-N-(3-bromo-2-fluoropropyl)-2-fluoropropan-1-amine

C6H11Br2F2N — CID 12032289

IUPAC3-bromo-N-(3-bromo-2-fluoropropyl)-2-fluoropropan-1-amine
SMILESFC(CBr)CNCC(F)CBr
InChIInChI=1S/C6H11Br2F2N/c7-1-5(9)3-11-4-6(10)2-8/h5-6,11H,1-4H2
InChIKeyWTLLETMEIUWVQF-UHFFFAOYSA-N
MW294.97 g/mol
LogP2.04
Rot. Bonds6

About 3-bromo-N-(3-bromo-2-fluoropropyl)-2-fluoropropan-1-amine

3-bromo-N-(3-bromo-2-fluoropropyl)-2-fluoropropan-1-amine (PubChem CID 12032289) has the molecular formula C6H11Br2F2N and a molecular weight of 294.97 g/mol. Its IUPAC name is 3-bromo-N-(3-bromo-2-fluoropropyl)-2-fluoropropan-1-amine.

Molecular Properties

Compound Name3-bromo-N-(3-bromo-2-fluoropropyl)-2-fluoropropan-1-amine
PubChem CID12032289
Molecular FormulaC6H11Br2F2N
Molecular Weight294.97 g/mol
Exact Mass292.92
IUPAC Name3-bromo-N-(3-bromo-2-fluoropropyl)-2-fluoropropan-1-amine
SMILESFC(CBr)CNCC(F)CBr
InChIInChI=1S/C6H11Br2F2N/c7-1-5(9)3-11-4-6(10)2-8/h5-6,11H,1-4H2
InChIKeyWTLLETMEIUWVQF-UHFFFAOYSA-N
XLogP2.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.97
LogP ≤ 52.04
H-Bond Donors ≤ 51
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 3-bromo-N-(3-bromo-2-fluoropropyl)-2-fluoropropan-1-amine?
The IUPAC name of 3-bromo-N-(3-bromo-2-fluoropropyl)-2-fluoropropan-1-amine (CID 12032289) is 3-bromo-N-(3-bromo-2-fluoropropyl)-2-fluoropropan-1-amine.
What is the SMILES notation for 3-bromo-N-(3-bromo-2-fluoropropyl)-2-fluoropropan-1-amine?
The canonical SMILES for 3-bromo-N-(3-bromo-2-fluoropropyl)-2-fluoropropan-1-amine is FC(CBr)CNCC(F)CBr.
What is the InChIKey of 3-bromo-N-(3-bromo-2-fluoropropyl)-2-fluoropropan-1-amine?
The InChIKey is WTLLETMEIUWVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11Br2F2N/c7-1-5(9)3-11-4-6(10)2-8/h5-6,11H,1-4H2.
What are the key properties of 3-bromo-N-(3-bromo-2-fluoropropyl)-2-fluoropropan-1-amine?
3-bromo-N-(3-bromo-2-fluoropropyl)-2-fluoropropan-1-amine has a molecular weight of 294.97 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-bromo-2-fluoropropyl)-2-fluoropropan-1-amine is sourced from PubChem (CID 12032289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).