2-(bromomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)butan-1-amine

C10H19BrF3N — CID 64997775

IUPAC2-(bromomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCCCN(CC(CC)CBr)CC(F)(F)F
InChIInChI=1S/C10H19BrF3N/c1-3-5-15(8-10(12,13)14)7-9(4-2)6-11/h9H,3-8H2,1-2H3
InChIKeyXFNQDYAZYKKVIK-UHFFFAOYSA-N
MW290.17 g/mol
LogP3.68
Rot. Bonds7

About 2-(bromomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)butan-1-amine

2-(bromomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)butan-1-amine (PubChem CID 64997775) has the molecular formula C10H19BrF3N and a molecular weight of 290.17 g/mol. Its IUPAC name is 2-(bromomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)butan-1-amine.

Molecular Properties

Compound Name2-(bromomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)butan-1-amine
PubChem CID64997775
Molecular FormulaC10H19BrF3N
Molecular Weight290.17 g/mol
Exact Mass289.07
IUPAC Name2-(bromomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCCCN(CC(CC)CBr)CC(F)(F)F
InChIInChI=1S/C10H19BrF3N/c1-3-5-15(8-10(12,13)14)7-9(4-2)6-11/h9H,3-8H2,1-2H3
InChIKeyXFNQDYAZYKKVIK-UHFFFAOYSA-N
XLogP3.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.17
LogP ≤ 53.68
H-Bond Donors ≤ 50
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 2-(bromomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The IUPAC name of 2-(bromomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)butan-1-amine (CID 64997775) is 2-(bromomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)butan-1-amine.
What is the SMILES notation for 2-(bromomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The canonical SMILES for 2-(bromomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)butan-1-amine is CCCN(CC(CC)CBr)CC(F)(F)F.
What is the InChIKey of 2-(bromomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The InChIKey is XFNQDYAZYKKVIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19BrF3N/c1-3-5-15(8-10(12,13)14)7-9(4-2)6-11/h9H,3-8H2,1-2H3.
What are the key properties of 2-(bromomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
2-(bromomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)butan-1-amine has a molecular weight of 290.17 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)butan-1-amine is sourced from PubChem (CID 64997775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).