4-fluoro-2-morpholin-4-ylaniline;hydrochloride

C10H14ClFN2O — CID 66524474

IUPAC4-fluoro-2-morpholin-4-ylaniline;hydrochloride
SMILESCl.Nc1ccc(F)cc1N1CCOCC1
InChIInChI=1S/C10H13FN2O.ClH/c11-8-1-2-9(12)10(7-8)13-3-5-14-6-4-13;/h1-2,7H,3-6,12H2;1H
InChIKeyCYRAXJZRZCOUSI-UHFFFAOYSA-N
MW232.69 g/mol
LogP1.67
Rot. Bonds1

About 4-fluoro-2-morpholin-4-ylaniline;hydrochloride

4-fluoro-2-morpholin-4-ylaniline;hydrochloride (PubChem CID 66524474) has the molecular formula C10H14ClFN2O and a molecular weight of 232.69 g/mol. Its IUPAC name is 4-fluoro-2-morpholin-4-ylaniline;hydrochloride.

Molecular Properties

Compound Name4-fluoro-2-morpholin-4-ylaniline;hydrochloride
PubChem CID66524474
Molecular FormulaC10H14ClFN2O
Molecular Weight232.69 g/mol
Exact Mass232.08
IUPAC Name4-fluoro-2-morpholin-4-ylaniline;hydrochloride
SMILESCl.Nc1ccc(F)cc1N1CCOCC1
InChIInChI=1S/C10H13FN2O.ClH/c11-8-1-2-9(12)10(7-8)13-3-5-14-6-4-13;/h1-2,7H,3-6,12H2;1H
InChIKeyCYRAXJZRZCOUSI-UHFFFAOYSA-N
XLogP1.67
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-morpholin-4-ylaniline;hydrochloride?
The IUPAC name of 4-fluoro-2-morpholin-4-ylaniline;hydrochloride (CID 66524474) is 4-fluoro-2-morpholin-4-ylaniline;hydrochloride.
What is the SMILES notation for 4-fluoro-2-morpholin-4-ylaniline;hydrochloride?
The canonical SMILES for 4-fluoro-2-morpholin-4-ylaniline;hydrochloride is Cl.Nc1ccc(F)cc1N1CCOCC1.
What is the InChIKey of 4-fluoro-2-morpholin-4-ylaniline;hydrochloride?
The InChIKey is CYRAXJZRZCOUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O.ClH/c11-8-1-2-9(12)10(7-8)13-3-5-14-6-4-13;/h1-2,7H,3-6,12H2;1H.
What are the key properties of 4-fluoro-2-morpholin-4-ylaniline;hydrochloride?
4-fluoro-2-morpholin-4-ylaniline;hydrochloride has a molecular weight of 232.69 g/mol, XLogP of 1.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-morpholin-4-ylaniline;hydrochloride is sourced from PubChem (CID 66524474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).