(E)-N-[2-(2,2,2-trifluoroethoxy)ethyl]but-2-en-1-amine

C8H14F3NO — CID 107898985

IUPAC(E)-N-[2-(2,2,2-trifluoroethoxy)ethyl]but-2-en-1-amine
SMILESC/C=C/CNCCOCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-3-4-12-5-6-13-7-8(9,10)11/h2-3,12H,4-7H2,1H3/b3-2+
InChIKeyFYVILTHYBAHLQM-NSCUHMNNSA-N
MW197.20 g/mol
LogP1.73
Rot. Bonds6

About (E)-N-[2-(2,2,2-trifluoroethoxy)ethyl]but-2-en-1-amine

(E)-N-[2-(2,2,2-trifluoroethoxy)ethyl]but-2-en-1-amine (PubChem CID 107898985) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is (E)-N-[2-(2,2,2-trifluoroethoxy)ethyl]but-2-en-1-amine.

Molecular Properties

Compound Name(E)-N-[2-(2,2,2-trifluoroethoxy)ethyl]but-2-en-1-amine
PubChem CID107898985
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name(E)-N-[2-(2,2,2-trifluoroethoxy)ethyl]but-2-en-1-amine
SMILESC/C=C/CNCCOCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-3-4-12-5-6-13-7-8(9,10)11/h2-3,12H,4-7H2,1H3/b3-2+
InChIKeyFYVILTHYBAHLQM-NSCUHMNNSA-N
XLogP1.73
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2,2,2-trifluoroethoxy)ethyl]but-2-en-1-amine?
The IUPAC name of (E)-N-[2-(2,2,2-trifluoroethoxy)ethyl]but-2-en-1-amine (CID 107898985) is (E)-N-[2-(2,2,2-trifluoroethoxy)ethyl]but-2-en-1-amine.
What is the SMILES notation for (E)-N-[2-(2,2,2-trifluoroethoxy)ethyl]but-2-en-1-amine?
The canonical SMILES for (E)-N-[2-(2,2,2-trifluoroethoxy)ethyl]but-2-en-1-amine is C/C=C/CNCCOCC(F)(F)F.
What is the InChIKey of (E)-N-[2-(2,2,2-trifluoroethoxy)ethyl]but-2-en-1-amine?
The InChIKey is FYVILTHYBAHLQM-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-2-3-4-12-5-6-13-7-8(9,10)11/h2-3,12H,4-7H2,1H3/b3-2+.
What are the key properties of (E)-N-[2-(2,2,2-trifluoroethoxy)ethyl]but-2-en-1-amine?
(E)-N-[2-(2,2,2-trifluoroethoxy)ethyl]but-2-en-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2,2,2-trifluoroethoxy)ethyl]but-2-en-1-amine is sourced from PubChem (CID 107898985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).