5-(2,2,2-trifluoroethoxy)pent-1-yn-3-amine

C7H10F3NO — CID 103148006

IUPAC5-(2,2,2-trifluoroethoxy)pent-1-yn-3-amine
SMILESC#CC(N)CCOCC(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-2-6(11)3-4-12-5-7(8,9)10/h1,6H,3-5,11H2
InChIKeyZHGCFUJIRKCSSB-UHFFFAOYSA-N
MW181.16 g/mol
LogP0.92
Rot. Bonds4

About 5-(2,2,2-trifluoroethoxy)pent-1-yn-3-amine

5-(2,2,2-trifluoroethoxy)pent-1-yn-3-amine (PubChem CID 103148006) has the molecular formula C7H10F3NO and a molecular weight of 181.16 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxy)pent-1-yn-3-amine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxy)pent-1-yn-3-amine
PubChem CID103148006
Molecular FormulaC7H10F3NO
Molecular Weight181.16 g/mol
Exact Mass181.07
IUPAC Name5-(2,2,2-trifluoroethoxy)pent-1-yn-3-amine
SMILESC#CC(N)CCOCC(F)(F)F
InChIInChI=1S/C7H10F3NO/c1-2-6(11)3-4-12-5-7(8,9)10/h1,6H,3-5,11H2
InChIKeyZHGCFUJIRKCSSB-UHFFFAOYSA-N
XLogP0.92
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.16
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethoxy)pent-1-yn-3-amine?
The IUPAC name of 5-(2,2,2-trifluoroethoxy)pent-1-yn-3-amine (CID 103148006) is 5-(2,2,2-trifluoroethoxy)pent-1-yn-3-amine.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxy)pent-1-yn-3-amine?
The canonical SMILES for 5-(2,2,2-trifluoroethoxy)pent-1-yn-3-amine is C#CC(N)CCOCC(F)(F)F.
What is the InChIKey of 5-(2,2,2-trifluoroethoxy)pent-1-yn-3-amine?
The InChIKey is ZHGCFUJIRKCSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3NO/c1-2-6(11)3-4-12-5-7(8,9)10/h1,6H,3-5,11H2.
What are the key properties of 5-(2,2,2-trifluoroethoxy)pent-1-yn-3-amine?
5-(2,2,2-trifluoroethoxy)pent-1-yn-3-amine has a molecular weight of 181.16 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethoxy)pent-1-yn-3-amine is sourced from PubChem (CID 103148006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).