9-bromo-N,N-bis(trifluoromethyl)nonan-1-amine

C11H18BrF6N — CID 87637276

IUPAC9-bromo-N,N-bis(trifluoromethyl)nonan-1-amine
SMILESFC(F)(F)N(CCCCCCCCCBr)C(F)(F)F
InChIInChI=1S/C11H18BrF6N/c12-8-6-4-2-1-3-5-7-9-19(10(13,14)15)11(16,17)18/h1-9H2
InChIKeyWLWGJQWMJMRYDA-UHFFFAOYSA-N
MW358.16 g/mol
LogP5.45
Rot. Bonds9

About 9-bromo-N,N-bis(trifluoromethyl)nonan-1-amine

9-bromo-N,N-bis(trifluoromethyl)nonan-1-amine (PubChem CID 87637276) has the molecular formula C11H18BrF6N and a molecular weight of 358.16 g/mol. Its IUPAC name is 9-bromo-N,N-bis(trifluoromethyl)nonan-1-amine.

Molecular Properties

Compound Name9-bromo-N,N-bis(trifluoromethyl)nonan-1-amine
PubChem CID87637276
Molecular FormulaC11H18BrF6N
Molecular Weight358.16 g/mol
Exact Mass357.05
IUPAC Name9-bromo-N,N-bis(trifluoromethyl)nonan-1-amine
SMILESFC(F)(F)N(CCCCCCCCCBr)C(F)(F)F
InChIInChI=1S/C11H18BrF6N/c12-8-6-4-2-1-3-5-7-9-19(10(13,14)15)11(16,17)18/h1-9H2
InChIKeyWLWGJQWMJMRYDA-UHFFFAOYSA-N
XLogP5.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.16
LogP ≤ 55.45
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-N,N-bis(trifluoromethyl)nonan-1-amine?
The IUPAC name of 9-bromo-N,N-bis(trifluoromethyl)nonan-1-amine (CID 87637276) is 9-bromo-N,N-bis(trifluoromethyl)nonan-1-amine.
What is the SMILES notation for 9-bromo-N,N-bis(trifluoromethyl)nonan-1-amine?
The canonical SMILES for 9-bromo-N,N-bis(trifluoromethyl)nonan-1-amine is FC(F)(F)N(CCCCCCCCCBr)C(F)(F)F.
What is the InChIKey of 9-bromo-N,N-bis(trifluoromethyl)nonan-1-amine?
The InChIKey is WLWGJQWMJMRYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrF6N/c12-8-6-4-2-1-3-5-7-9-19(10(13,14)15)11(16,17)18/h1-9H2.
What are the key properties of 9-bromo-N,N-bis(trifluoromethyl)nonan-1-amine?
9-bromo-N,N-bis(trifluoromethyl)nonan-1-amine has a molecular weight of 358.16 g/mol, XLogP of 5.45, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-N,N-bis(trifluoromethyl)nonan-1-amine is sourced from PubChem (CID 87637276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).