N-(4,4,4-trifluorobutyl)morpholin-4-amine

C8H15F3N2O — CID 83022131

IUPACN-(4,4,4-trifluorobutyl)morpholin-4-amine
SMILESFC(F)(F)CCCNN1CCOCC1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)2-1-3-12-13-4-6-14-7-5-13/h12H,1-7H2
InChIKeyDLRCFZMMQBVMLE-UHFFFAOYSA-N
MW212.21 g/mol
LogP1.17
Rot. Bonds4

About N-(4,4,4-trifluorobutyl)morpholin-4-amine

N-(4,4,4-trifluorobutyl)morpholin-4-amine (PubChem CID 83022131) has the molecular formula C8H15F3N2O and a molecular weight of 212.21 g/mol. Its IUPAC name is N-(4,4,4-trifluorobutyl)morpholin-4-amine.

Molecular Properties

Compound NameN-(4,4,4-trifluorobutyl)morpholin-4-amine
PubChem CID83022131
Molecular FormulaC8H15F3N2O
Molecular Weight212.21 g/mol
Exact Mass212.11
IUPAC NameN-(4,4,4-trifluorobutyl)morpholin-4-amine
SMILESFC(F)(F)CCCNN1CCOCC1
InChIInChI=1S/C8H15F3N2O/c9-8(10,11)2-1-3-12-13-4-6-14-7-5-13/h12H,1-7H2
InChIKeyDLRCFZMMQBVMLE-UHFFFAOYSA-N
XLogP1.17
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 51.17
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 N-(4,4,4-trifluorobutyl)morpholin-4-amine?
The IUPAC name of N-(4,4,4-trifluorobutyl)morpholin-4-amine (CID 83022131) is N-(4,4,4-trifluorobutyl)morpholin-4-amine.
What is the SMILES notation for N-(4,4,4-trifluorobutyl)morpholin-4-amine?
The canonical SMILES for N-(4,4,4-trifluorobutyl)morpholin-4-amine is FC(F)(F)CCCNN1CCOCC1.
What is the InChIKey of N-(4,4,4-trifluorobutyl)morpholin-4-amine?
The InChIKey is DLRCFZMMQBVMLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O/c9-8(10,11)2-1-3-12-13-4-6-14-7-5-13/h12H,1-7H2.
What are the key properties of N-(4,4,4-trifluorobutyl)morpholin-4-amine?
N-(4,4,4-trifluorobutyl)morpholin-4-amine has a molecular weight of 212.21 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,4,4-trifluorobutyl)morpholin-4-amine is sourced from PubChem (CID 83022131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).