3-fluoro-N-phenylmorpholin-4-amine

C10H13FN2O — CID 54041051

IUPAC3-fluoro-N-phenylmorpholin-4-amine
SMILESFC1COCCN1Nc1ccccc1
InChIInChI=1S/C10H13FN2O/c11-10-8-14-7-6-13(10)12-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKeyLMJDQMDKYBAESV-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.64
Rot. Bonds2

About 3-fluoro-N-phenylmorpholin-4-amine

3-fluoro-N-phenylmorpholin-4-amine (PubChem CID 54041051) has the molecular formula C10H13FN2O and a molecular weight of 196.23 g/mol. Its IUPAC name is 3-fluoro-N-phenylmorpholin-4-amine.

Molecular Properties

Compound Name3-fluoro-N-phenylmorpholin-4-amine
PubChem CID54041051
Molecular FormulaC10H13FN2O
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name3-fluoro-N-phenylmorpholin-4-amine
SMILESFC1COCCN1Nc1ccccc1
InChIInChI=1S/C10H13FN2O/c11-10-8-14-7-6-13(10)12-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2
InChIKeyLMJDQMDKYBAESV-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-phenylmorpholin-4-amine?
The IUPAC name of 3-fluoro-N-phenylmorpholin-4-amine (CID 54041051) is 3-fluoro-N-phenylmorpholin-4-amine.
What is the SMILES notation for 3-fluoro-N-phenylmorpholin-4-amine?
The canonical SMILES for 3-fluoro-N-phenylmorpholin-4-amine is FC1COCCN1Nc1ccccc1.
What is the InChIKey of 3-fluoro-N-phenylmorpholin-4-amine?
The InChIKey is LMJDQMDKYBAESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c11-10-8-14-7-6-13(10)12-9-4-2-1-3-5-9/h1-5,10,12H,6-8H2.
What are the key properties of 3-fluoro-N-phenylmorpholin-4-amine?
3-fluoro-N-phenylmorpholin-4-amine has a molecular weight of 196.23 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-phenylmorpholin-4-amine is sourced from PubChem (CID 54041051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).