4-(2,2,2-trifluoroethoxy)but-2-en-1-amine

C6H10F3NO — CID 77110384

IUPAC4-(2,2,2-trifluoroethoxy)but-2-en-1-amine
SMILESNCC=CCOCC(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5-11-4-2-1-3-10/h1-2H,3-5,10H2
InChIKeyQQJIHHZTYLFVKV-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.08
Rot. Bonds4

About 4-(2,2,2-trifluoroethoxy)but-2-en-1-amine

4-(2,2,2-trifluoroethoxy)but-2-en-1-amine (PubChem CID 77110384) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethoxy)but-2-en-1-amine.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethoxy)but-2-en-1-amine
PubChem CID77110384
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name4-(2,2,2-trifluoroethoxy)but-2-en-1-amine
SMILESNCC=CCOCC(F)(F)F
InChIInChI=1S/C6H10F3NO/c7-6(8,9)5-11-4-2-1-3-10/h1-2H,3-5,10H2
InChIKeyQQJIHHZTYLFVKV-UHFFFAOYSA-N
XLogP1.08
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.08
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 4-(2,2,2-trifluoroethoxy)but-2-en-1-amine?
The IUPAC name of 4-(2,2,2-trifluoroethoxy)but-2-en-1-amine (CID 77110384) is 4-(2,2,2-trifluoroethoxy)but-2-en-1-amine.
What is the SMILES notation for 4-(2,2,2-trifluoroethoxy)but-2-en-1-amine?
The canonical SMILES for 4-(2,2,2-trifluoroethoxy)but-2-en-1-amine is NCC=CCOCC(F)(F)F.
What is the InChIKey of 4-(2,2,2-trifluoroethoxy)but-2-en-1-amine?
The InChIKey is QQJIHHZTYLFVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c7-6(8,9)5-11-4-2-1-3-10/h1-2H,3-5,10H2.
What are the key properties of 4-(2,2,2-trifluoroethoxy)but-2-en-1-amine?
4-(2,2,2-trifluoroethoxy)but-2-en-1-amine has a molecular weight of 169.15 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethoxy)but-2-en-1-amine is sourced from PubChem (CID 77110384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).