ethane;(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine;molecular hydrogen

C16H22FN3O2 — CID 171653178

IUPACethane;(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine;molecular hydrogen
SMILESCC.Fc1ccc([C@H]2CNCCO2)cc1Oc1cccnn1.[H][H]
InChIInChI=1S/C14H14FN3O2.C2H6.H2/c15-11-4-3-10(13-9-16-6-7-19-13)8-12(11)20-14-2-1-5-17-18-14;1-2;/h1-5,8,13,16H,6-7,9H2;1-2H3;1H/t13-;;/m1../s1
InChIKeyAIGHDZYMCDDDRY-FFXKMJQXSA-N
MW307.37 g/mol
LogP3.34
Rot. Bonds3

About ethane;(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine;molecular hydrogen

ethane;(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine;molecular hydrogen (PubChem CID 171653178) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is ethane;(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine;molecular hydrogen.

Molecular Properties

Compound Nameethane;(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine;molecular hydrogen
PubChem CID171653178
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Nameethane;(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine;molecular hydrogen
SMILESCC.Fc1ccc([C@H]2CNCCO2)cc1Oc1cccnn1.[H][H]
InChIInChI=1S/C14H14FN3O2.C2H6.H2/c15-11-4-3-10(13-9-16-6-7-19-13)8-12(11)20-14-2-1-5-17-18-14;1-2;/h1-5,8,13,16H,6-7,9H2;1-2H3;1H/t13-;;/m1../s1
InChIKeyAIGHDZYMCDDDRY-FFXKMJQXSA-N
XLogP3.34
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine;molecular hydrogen 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

(2S)-2-(3-methyl-5-pyridazin-3-yloxyphenyl)morpholine
CID 174291013
(2R)-2-(2,3-difluoro-5-pyridazin-3-yloxyphenyl)morpholine
CID 171653313
(2R)-2-(2-methyl-5-pyridazin-3-yloxyphenyl)morpholine
CID 171653174
(2R)-2-(4-fluoro-3-methylphenyl)morpholine
CID 94254202
2-(3-fluoro-4-methylphenyl)morpholine
CID 65122034
2-(4-fluoro-3,5-dimethylphenyl)morpholine
CID 84780671
2-(3,4-dimethylphenyl)morpholine
CID 43169342
(2S)-2-(2-fluoro-5-pyridin-2-yloxyphenyl)morpholine
CID 174290590
2-(3-fluoro-5-methoxy-4-methylphenyl)morpholine
CID 117323473
2-(3-bromo-4-methylphenyl)morpholine
CID 83730909
(2R)-2-(4-chlorophenyl)morpholine;hydrochloride
CID 119056973
(2R)-2-(3-pyridin-4-yloxyphenyl)morpholine
CID 171653433

Frequently Asked Questions

What is the IUPAC name of ethane;(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine;molecular hydrogen?
The IUPAC name of ethane;(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine;molecular hydrogen (CID 171653178) is ethane;(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine;molecular hydrogen.
What is the SMILES notation for ethane;(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine;molecular hydrogen?
The canonical SMILES for ethane;(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine;molecular hydrogen is CC.Fc1ccc([C@H]2CNCCO2)cc1Oc1cccnn1.[H][H].
What is the InChIKey of ethane;(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine;molecular hydrogen?
The InChIKey is AIGHDZYMCDDDRY-FFXKMJQXSA-N. The full InChI is InChI=1S/C14H14FN3O2.C2H6.H2/c15-11-4-3-10(13-9-16-6-7-19-13)8-12(11)20-14-2-1-5-17-18-14;1-2;/h1-5,8,13,16H,6-7,9H2;1-2H3;1H/t13-;;/m1../s1.
What are the key properties of ethane;(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine;molecular hydrogen?
ethane;(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine;molecular hydrogen has a molecular weight of 307.37 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine;molecular hydrogen is sourced from PubChem (CID 171653178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).