(3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride

C10H12ClFN2O3 — CID 171193204

IUPAC(3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride
SMILESCl.O=[N+]([O-])c1cc([C@H]2COCCN2)ccc1F
InChIInChI=1S/C10H11FN2O3.ClH/c11-8-2-1-7(5-10(8)13(14)15)9-6-16-4-3-12-9;/h1-2,5,9,12H,3-4,6H2;1H/t9-;/m1./s1
InChIKeyZYAGTUCKGRDBMS-SBSPUUFOSA-N
MW262.67 g/mol
LogP1.82
Rot. Bonds2

About (3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride

(3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride (PubChem CID 171193204) has the molecular formula C10H12ClFN2O3 and a molecular weight of 262.67 g/mol. Its IUPAC name is (3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name(3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride
PubChem CID171193204
Molecular FormulaC10H12ClFN2O3
Molecular Weight262.67 g/mol
Exact Mass262.05
IUPAC Name(3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride
SMILESCl.O=[N+]([O-])c1cc([C@H]2COCCN2)ccc1F
InChIInChI=1S/C10H11FN2O3.ClH/c11-8-2-1-7(5-10(8)13(14)15)9-6-16-4-3-12-9;/h1-2,5,9,12H,3-4,6H2;1H/t9-;/m1./s1
InChIKeyZYAGTUCKGRDBMS-SBSPUUFOSA-N
XLogP1.82
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.67
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methyl-4-nitrophenyl)morpholine
CID 130041687
(2S)-2-(4-fluoro-3-nitrophenyl)azetidine
CID 55278282
(3S)-3-(5-chloro-2-nitrophenyl)morpholine
CID 131335857
3-(2-fluoro-3-nitrophenyl)morpholine
CID 130041591
2-fluoro-4-[(3R)-morpholin-3-yl]phenol
CID 96758561
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
3-(2-nitrophenyl)morpholine
CID 69296490
(3S)-3-(2-nitrophenyl)morpholine
CID 97291213
(3R)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride
CID 171192647
(3S)-3-(3,4,5-trifluorophenyl)morpholine;hydrochloride
CID 171193179
(3S)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171193072
(3R)-3-(3-fluoro-4-methoxyphenyl)morpholine;hydrochloride
CID 171192539

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride?
The IUPAC name of (3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride (CID 171193204) is (3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride.
What is the SMILES notation for (3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride?
The canonical SMILES for (3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride is Cl.O=[N+]([O-])c1cc([C@H]2COCCN2)ccc1F.
What is the InChIKey of (3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride?
The InChIKey is ZYAGTUCKGRDBMS-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H11FN2O3.ClH/c11-8-2-1-7(5-10(8)13(14)15)9-6-16-4-3-12-9;/h1-2,5,9,12H,3-4,6H2;1H/t9-;/m1./s1.
What are the key properties of (3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride?
(3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride has a molecular weight of 262.67 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-fluoro-3-nitrophenyl)morpholine;hydrochloride is sourced from PubChem (CID 171193204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).