(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine

C14H14FN3O2 — CID 171653179

IUPAC(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine
SMILESFc1ccc([C@H]2CNCCO2)cc1Oc1cccnn1
InChIInChI=1S/C14H14FN3O2/c15-11-4-3-10(13-9-16-6-7-19-13)8-12(11)20-14-2-1-5-17-18-14/h1-5,8,13,16H,6-7,9H2/t13-/m1/s1
InChIKeyUYWTWALHQXSAEJ-CYBMUJFWSA-N
MW275.28 g/mol
LogP2.07
Rot. Bonds3

About (2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine

(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine (PubChem CID 171653179) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is (2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine
PubChem CID171653179
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine
SMILESFc1ccc([C@H]2CNCCO2)cc1Oc1cccnn1
InChIInChI=1S/C14H14FN3O2/c15-11-4-3-10(13-9-16-6-7-19-13)8-12(11)20-14-2-1-5-17-18-14/h1-5,8,13,16H,6-7,9H2/t13-/m1/s1
InChIKeyUYWTWALHQXSAEJ-CYBMUJFWSA-N
XLogP2.07
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US11274091, Example 25
CID 146240802
US11274091, Example 28
CID 146240935
N-(p-fluorophenyl)methyl-(S)-3-(3-pyridazinyloxy)-1-piperidinecarboxamide
CID 100640493
5-(4-Cyclohexyloxyphenyl)-3-[4-(difluoromethyl)piperidin-3-yl]oxypyridazine
CID 123791264
3-[3-[3-(Trifluoromethoxy)phenyl]propoxy]pyridazine
CID 123849788
(3R)-1-[(1S,2S,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-amine
CID 152696310
piperidin-3-yl N-[4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]carbamate
CID 156136617
1-[(1S,2S,4R)-4-(4-fluorophenyl)-2-(5-fluoropyridazin-3-yl)oxycyclopentyl]piperidin-3-amine
CID 156136644
(2R)-2-(3-fluoro-5-pyridazin-3-yloxyphenyl)morpholine
CID 171653146
2-(2-Fluoro-5-pyridazin-3-yloxyphenyl)morpholine
CID 171653150
Tert-butyl 2-[2-fluoro-5-(5-methylpyridazin-3-yl)oxyphenyl]morpholine-4-carboxylate
CID 171653170
Tert-butyl 2-(2,4-difluoro-5-pyridazin-3-yloxyphenyl)morpholine-4-carboxylate
CID 171653195

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine?
The IUPAC name of (2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine (CID 171653179) is (2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine.
What is the SMILES notation for (2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine?
The canonical SMILES for (2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine is Fc1ccc([C@H]2CNCCO2)cc1Oc1cccnn1.
What is the InChIKey of (2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine?
The InChIKey is UYWTWALHQXSAEJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-11-4-3-10(13-9-16-6-7-19-13)8-12(11)20-14-2-1-5-17-18-14/h1-5,8,13,16H,6-7,9H2/t13-/m1/s1.
What are the key properties of (2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine?
(2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine has a molecular weight of 275.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluoro-3-pyridazin-3-yloxyphenyl)morpholine is sourced from PubChem (CID 171653179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).