3-fluoromorpholin-4-amine

C4H9FN2O — CID 118469677

IUPAC3-fluoromorpholin-4-amine
SMILESNN1CCOCC1F
InChIInChI=1S/C4H9FN2O/c5-4-3-8-2-1-7(4)6/h4H,1-3,6H2
InChIKeyRPJKRGXSYYCKTH-UHFFFAOYSA-N
MW120.13 g/mol
LogP-0.51
Rot. Bonds

About 3-fluoromorpholin-4-amine

3-fluoromorpholin-4-amine (PubChem CID 118469677) has the molecular formula C4H9FN2O and a molecular weight of 120.13 g/mol. Its IUPAC name is 3-fluoromorpholin-4-amine.

Molecular Properties

Compound Name3-fluoromorpholin-4-amine
PubChem CID118469677
Molecular FormulaC4H9FN2O
Molecular Weight120.13 g/mol
Exact Mass120.07
IUPAC Name3-fluoromorpholin-4-amine
SMILESNN1CCOCC1F
InChIInChI=1S/C4H9FN2O/c5-4-3-8-2-1-7(4)6/h4H,1-3,6H2
InChIKeyRPJKRGXSYYCKTH-UHFFFAOYSA-N
XLogP-0.51
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.13
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoromorpholin-4-amine?
The IUPAC name of 3-fluoromorpholin-4-amine (CID 118469677) is 3-fluoromorpholin-4-amine.
What is the SMILES notation for 3-fluoromorpholin-4-amine?
The canonical SMILES for 3-fluoromorpholin-4-amine is NN1CCOCC1F.
What is the InChIKey of 3-fluoromorpholin-4-amine?
The InChIKey is RPJKRGXSYYCKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9FN2O/c5-4-3-8-2-1-7(4)6/h4H,1-3,6H2.
What are the key properties of 3-fluoromorpholin-4-amine?
3-fluoromorpholin-4-amine has a molecular weight of 120.13 g/mol, XLogP of -0.51, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoromorpholin-4-amine is sourced from PubChem (CID 118469677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).