N-(2-but-2-enoxyethyl)-2,2,2-trifluoroethanamine

C8H14F3NO — CID 76946787

IUPACN-(2-but-2-enoxyethyl)-2,2,2-trifluoroethanamine
SMILESCC=CCOCCNCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-3-5-13-6-4-12-7-8(9,10)11/h2-3,12H,4-7H2,1H3
InChIKeyPQHVHOXAFNYBGR-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.60
Rot. Bonds6

About N-(2-but-2-enoxyethyl)-2,2,2-trifluoroethanamine

N-(2-but-2-enoxyethyl)-2,2,2-trifluoroethanamine (PubChem CID 76946787) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is N-(2-but-2-enoxyethyl)-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-(2-but-2-enoxyethyl)-2,2,2-trifluoroethanamine
PubChem CID76946787
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC NameN-(2-but-2-enoxyethyl)-2,2,2-trifluoroethanamine
SMILESCC=CCOCCNCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-2-3-5-13-6-4-12-7-8(9,10)11/h2-3,12H,4-7H2,1H3
InChIKeyPQHVHOXAFNYBGR-UHFFFAOYSA-N
XLogP1.60
TPSA21.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms13
Complexity145

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 N-(2-but-2-enoxyethyl)-2,2,2-trifluoroethanamine?
The IUPAC name of N-(2-but-2-enoxyethyl)-2,2,2-trifluoroethanamine (CID 76946787) is N-(2-but-2-enoxyethyl)-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-(2-but-2-enoxyethyl)-2,2,2-trifluoroethanamine?
The canonical SMILES for N-(2-but-2-enoxyethyl)-2,2,2-trifluoroethanamine is CC=CCOCCNCC(F)(F)F.
What is the InChIKey of N-(2-but-2-enoxyethyl)-2,2,2-trifluoroethanamine?
The InChIKey is PQHVHOXAFNYBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-2-3-5-13-6-4-12-7-8(9,10)11/h2-3,12H,4-7H2,1H3.
What are the key properties of N-(2-but-2-enoxyethyl)-2,2,2-trifluoroethanamine?
N-(2-but-2-enoxyethyl)-2,2,2-trifluoroethanamine has a molecular weight of 197.20 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-2-enoxyethyl)-2,2,2-trifluoroethanamine is sourced from PubChem (CID 76946787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).