2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine

C9H15F5N2O — CID 159783180

IUPAC2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine
SMILESFC(F)(F)C(F)(F)CNCCN1CCOCC1
InChIInChI=1S/C9H15F5N2O/c10-8(11,9(12,13)14)7-15-1-2-16-3-5-17-6-4-16/h15H,1-7H2
InChIKeyPVHLZXQNLMAUPD-UHFFFAOYSA-N
MW262.22 g/mol
LogP1.11
Rot. Bonds5

About 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine

2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine (PubChem CID 159783180) has the molecular formula C9H15F5N2O and a molecular weight of 262.22 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine
PubChem CID159783180
Molecular FormulaC9H15F5N2O
Molecular Weight262.22 g/mol
Exact Mass262.11
IUPAC Name2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine
SMILESFC(F)(F)C(F)(F)CNCCN1CCOCC1
InChIInChI=1S/C9H15F5N2O/c10-8(11,9(12,13)14)7-15-1-2-16-3-5-17-6-4-16/h15H,1-7H2
InChIKeyPVHLZXQNLMAUPD-UHFFFAOYSA-N
XLogP1.11
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.22
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine (CID 159783180) is 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine is FC(F)(F)C(F)(F)CNCCN1CCOCC1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine?
The InChIKey is PVHLZXQNLMAUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F5N2O/c10-8(11,9(12,13)14)7-15-1-2-16-3-5-17-6-4-16/h15H,1-7H2.
What are the key properties of 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine?
2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine has a molecular weight of 262.22 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine is sourced from PubChem (CID 159783180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).