2-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine

C7H11BrF3NO — CID 63828238

IUPAC2-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
SMILESC=C(Br)CNCCOCC(F)(F)F
InChIInChI=1S/C7H11BrF3NO/c1-6(8)4-12-2-3-13-5-7(9,10)11/h12H,1-5H2
InChIKeyHSWOUSJXZTWMIK-UHFFFAOYSA-N
MW262.07 g/mol
LogP2.06
Rot. Bonds6

About 2-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine

2-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine (PubChem CID 63828238) has the molecular formula C7H11BrF3NO and a molecular weight of 262.07 g/mol. Its IUPAC name is 2-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
PubChem CID63828238
Molecular FormulaC7H11BrF3NO
Molecular Weight262.07 g/mol
Exact Mass261.00
IUPAC Name2-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine
SMILESC=C(Br)CNCCOCC(F)(F)F
InChIInChI=1S/C7H11BrF3NO/c1-6(8)4-12-2-3-13-5-7(9,10)11/h12H,1-5H2
InChIKeyHSWOUSJXZTWMIK-UHFFFAOYSA-N
XLogP2.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.07
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine?
The IUPAC name of 2-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine (CID 63828238) is 2-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine is C=C(Br)CNCCOCC(F)(F)F.
What is the InChIKey of 2-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine?
The InChIKey is HSWOUSJXZTWMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrF3NO/c1-6(8)4-12-2-3-13-5-7(9,10)11/h12H,1-5H2.
What are the key properties of 2-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine?
2-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine has a molecular weight of 262.07 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2,2,2-trifluoroethoxy)ethyl]prop-2-en-1-amine is sourced from PubChem (CID 63828238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).