1-fluoro-N,N-dimethyl-1-morpholin-4-ium-4-ylmethanamine

C7H16FN2O+ — CID 163714279

IUPAC1-fluoro-N,N-dimethyl-1-morpholin-4-ium-4-ylmethanamine
SMILESCN(C)C(F)[NH+]1CCOCC1
InChIInChI=1S/C7H15FN2O/c1-9(2)7(8)10-3-5-11-6-4-10/h7H,3-6H2,1-2H3/p+1
InChIKeyKLZDFNCUKXFXRK-UHFFFAOYSA-O
MW163.22 g/mol
LogP-1.28
Rot. Bonds2

About 1-fluoro-N,N-dimethyl-1-morpholin-4-ium-4-ylmethanamine

1-fluoro-N,N-dimethyl-1-morpholin-4-ium-4-ylmethanamine (PubChem CID 163714279) has the molecular formula C7H16FN2O+ and a molecular weight of 163.22 g/mol. Its IUPAC name is 1-fluoro-N,N-dimethyl-1-morpholin-4-ium-4-ylmethanamine.

Molecular Properties

Compound Name1-fluoro-N,N-dimethyl-1-morpholin-4-ium-4-ylmethanamine
PubChem CID163714279
Molecular FormulaC7H16FN2O+
Molecular Weight163.22 g/mol
Exact Mass163.12
IUPAC Name1-fluoro-N,N-dimethyl-1-morpholin-4-ium-4-ylmethanamine
SMILESCN(C)C(F)[NH+]1CCOCC1
InChIInChI=1S/C7H15FN2O/c1-9(2)7(8)10-3-5-11-6-4-10/h7H,3-6H2,1-2H3/p+1
InChIKeyKLZDFNCUKXFXRK-UHFFFAOYSA-O
XLogP-1.28
TPSA16.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-1.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

2-(4-Morpholino)-1-propylamine
CID 15281814
2-(4-Morpholino)-1-ethylamine
CID 21966830
Amino-methylmorpholine
CID 53796705
1-fluoro-N,N-dimethyl-1-morpholin-4-ylmethanamine
CID 25158604
(1S)-1-fluoro-N,N-dimethyl-1-morpholin-4-ylethanamine
CID 89064472
N-methyl-1-[3-(trifluoromethyl)morpholin-4-yl]methanamine
CID 156082274
N-methyl-2-[(3R)-3-(trifluoromethyl)morpholin-4-yl]propan-2-amine
CID 163562855
(1S)-1-fluoro-N-methyl-1-morpholin-4-ylethanamine
CID 163822696
(1R)-2-fluoro-N-methyl-1-morpholin-4-ylpropan-1-amine
CID 173819069
N-(2-fluoroethyl)morpholine-4-carboxamide
CID 126973649
N'-(1-morpholin-4-ylethyl)ethane-1,2-diamine
CID 19420461
N-(Morpholinomethyl)ethanamine
CID 20784380

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-N,N-dimethyl-1-morpholin-4-ium-4-ylmethanamine?
The IUPAC name of 1-fluoro-N,N-dimethyl-1-morpholin-4-ium-4-ylmethanamine (CID 163714279) is 1-fluoro-N,N-dimethyl-1-morpholin-4-ium-4-ylmethanamine.
What is the SMILES notation for 1-fluoro-N,N-dimethyl-1-morpholin-4-ium-4-ylmethanamine?
The canonical SMILES for 1-fluoro-N,N-dimethyl-1-morpholin-4-ium-4-ylmethanamine is CN(C)C(F)[NH+]1CCOCC1.
What is the InChIKey of 1-fluoro-N,N-dimethyl-1-morpholin-4-ium-4-ylmethanamine?
The InChIKey is KLZDFNCUKXFXRK-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H15FN2O/c1-9(2)7(8)10-3-5-11-6-4-10/h7H,3-6H2,1-2H3/p+1.
What are the key properties of 1-fluoro-N,N-dimethyl-1-morpholin-4-ium-4-ylmethanamine?
1-fluoro-N,N-dimethyl-1-morpholin-4-ium-4-ylmethanamine has a molecular weight of 163.22 g/mol, XLogP of -1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-N,N-dimethyl-1-morpholin-4-ium-4-ylmethanamine is sourced from PubChem (CID 163714279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).