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

C10H19F3N2O — CID 115513486

IUPAC4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine
SMILESFC(F)(F)CCCNCCN1CCOCC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)2-1-3-14-4-5-15-6-8-16-9-7-15/h14H,1-9H2
InChIKeyINEVKLDPHXOQNF-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds6

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

4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine (PubChem CID 115513486) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine
PubChem CID115513486
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine
SMILESFC(F)(F)CCCNCCN1CCOCC1
InChIInChI=1S/C10H19F3N2O/c11-10(12,13)2-1-3-14-4-5-15-6-8-16-9-7-15/h14H,1-9H2
InChIKeyINEVKLDPHXOQNF-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.25
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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Related Compounds

4,4,4-trifluoro-N-(3-pyrrolidin-1-ylpropyl)butan-1-amine
CID 115513697
N',N'-dimethyl-N-(2-morpholin-4-ylethyl)propane-1,3-diamine
CID 28583738
4-methyl-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 61044634
CID 59303713
CID 59303713
4-chloro-N-(2-morpholin-4-ylethyl)pentan-1-amine
CID 106121816
5-(2-morpholin-4-ylethylamino)pentanoic acid
CID 103235757
2,2,4,4,5,5,8,8,10,10,10-undecafluoro-N-(2-morpholin-4-ylethyl)decan-1-amine
CID 159783187
2-morpholin-4-yl-N-(trifluoromethylsulfanyl)ethanamine
CID 138480646
N-methyl-4-(2-morpholin-4-ylethylamino)butanamide
CID 63892681
N-[2-[(2-methylpropan-2-yl)oxy]ethyl]-2-morpholin-4-ylethanamine
CID 112588697
3-(2-morpholin-4-ylethylamino)propanoic acid
CID 28830354
5-morpholin-4-yl-N-propylpentan-1-amine
CID 62437718

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine (CID 115513486) is 4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine is FC(F)(F)CCCNCCN1CCOCC1.
What is the InChIKey of 4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine?
The InChIKey is INEVKLDPHXOQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c11-10(12,13)2-1-3-14-4-5-15-6-8-16-9-7-15/h14H,1-9H2.
What are the key properties of 4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine?
4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine has a molecular weight of 240.27 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(2-morpholin-4-ylethyl)butan-1-amine is sourced from PubChem (CID 115513486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).