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

C10H17F5N2O — CID 159783181

IUPAC2,2,4,4,4-pentafluoro-N-(2-morpholin-4-ylethyl)butan-1-amine
SMILESFC(F)(F)CC(F)(F)CNCCN1CCOCC1
InChIInChI=1S/C10H17F5N2O/c11-9(12,7-10(13,14)15)8-16-1-2-17-3-5-18-6-4-17/h16H,1-8H2
InChIKeyFNBAYEFFNLCIHE-UHFFFAOYSA-N
MW276.25 g/mol
LogP1.50
Rot. Bonds6

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

2,2,4,4,4-pentafluoro-N-(2-morpholin-4-ylethyl)butan-1-amine (PubChem CID 159783181) has the molecular formula C10H17F5N2O and a molecular weight of 276.25 g/mol. Its IUPAC name is 2,2,4,4,4-pentafluoro-N-(2-morpholin-4-ylethyl)butan-1-amine.

Molecular Properties

Compound Name2,2,4,4,4-pentafluoro-N-(2-morpholin-4-ylethyl)butan-1-amine
PubChem CID159783181
Molecular FormulaC10H17F5N2O
Molecular Weight276.25 g/mol
Exact Mass276.13
IUPAC Name2,2,4,4,4-pentafluoro-N-(2-morpholin-4-ylethyl)butan-1-amine
SMILESFC(F)(F)CC(F)(F)CNCCN1CCOCC1
InChIInChI=1S/C10H17F5N2O/c11-9(12,7-10(13,14)15)8-16-1-2-17-3-5-18-6-4-17/h16H,1-8H2
InChIKeyFNBAYEFFNLCIHE-UHFFFAOYSA-N
XLogP1.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4,4-pentafluoro-N-(2-morpholin-4-ylethyl)butan-1-amine?
The IUPAC name of 2,2,4,4,4-pentafluoro-N-(2-morpholin-4-ylethyl)butan-1-amine (CID 159783181) is 2,2,4,4,4-pentafluoro-N-(2-morpholin-4-ylethyl)butan-1-amine.
What is the SMILES notation for 2,2,4,4,4-pentafluoro-N-(2-morpholin-4-ylethyl)butan-1-amine?
The canonical SMILES for 2,2,4,4,4-pentafluoro-N-(2-morpholin-4-ylethyl)butan-1-amine is FC(F)(F)CC(F)(F)CNCCN1CCOCC1.
What is the InChIKey of 2,2,4,4,4-pentafluoro-N-(2-morpholin-4-ylethyl)butan-1-amine?
The InChIKey is FNBAYEFFNLCIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F5N2O/c11-9(12,7-10(13,14)15)8-16-1-2-17-3-5-18-6-4-17/h16H,1-8H2.
What are the key properties of 2,2,4,4,4-pentafluoro-N-(2-morpholin-4-ylethyl)butan-1-amine?
2,2,4,4,4-pentafluoro-N-(2-morpholin-4-ylethyl)butan-1-amine has a molecular weight of 276.25 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4,4-pentafluoro-N-(2-morpholin-4-ylethyl)butan-1-amine is sourced from PubChem (CID 159783181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).