3-morpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine

C9H17F3N2O — CID 43168470

IUPAC3-morpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESFC(F)(F)CNCCCN1CCOCC1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8-13-2-1-3-14-4-6-15-7-5-14/h13H,1-8H2
InChIKeyJRLAEHWBMLZJFQ-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.86
Rot. Bonds5

About 3-morpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine

3-morpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 43168470) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID43168470
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC Name3-morpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESFC(F)(F)CNCCCN1CCOCC1
InChIInChI=1S/C9H17F3N2O/c10-9(11,12)8-13-2-1-3-14-4-6-15-7-5-14/h13H,1-8H2
InChIKeyJRLAEHWBMLZJFQ-UHFFFAOYSA-N
XLogP0.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.86
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 3-morpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 3-morpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 43168470) is 3-morpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 3-morpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine is FC(F)(F)CNCCCN1CCOCC1.
What is the InChIKey of 3-morpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is JRLAEHWBMLZJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c10-9(11,12)8-13-2-1-3-14-4-6-15-7-5-14/h13H,1-8H2.
What are the key properties of 3-morpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine?
3-morpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 226.24 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 43168470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).