2-[[1-(3,4-difluorophenyl)indazol-3-yl]oxymethyl]morpholine

C18H17F2N3O2 — CID 25120226

IUPAC2-[[1-(3,4-difluorophenyl)indazol-3-yl]oxymethyl]morpholine
SMILESFc1ccc(-n2nc(OCC3CNCCO3)c3ccccc32)cc1F
InChIInChI=1S/C18H17F2N3O2/c19-15-6-5-12(9-16(15)20)23-17-4-2-1-3-14(17)18(22-23)25-11-13-10-21-7-8-24-13/h1-6,9,13,21H,7-8,10-11H2
InChIKeyHHCVWJISGXXXOF-UHFFFAOYSA-N
MW345.35 g/mol
LogP2.67
Rot. Bonds4

About 2-[[1-(3,4-difluorophenyl)indazol-3-yl]oxymethyl]morpholine

2-[[1-(3,4-difluorophenyl)indazol-3-yl]oxymethyl]morpholine (PubChem CID 25120226) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is 2-[[1-(3,4-difluorophenyl)indazol-3-yl]oxymethyl]morpholine.

Molecular Properties

Compound Name2-[[1-(3,4-difluorophenyl)indazol-3-yl]oxymethyl]morpholine
PubChem CID25120226
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name2-[[1-(3,4-difluorophenyl)indazol-3-yl]oxymethyl]morpholine
SMILESFc1ccc(-n2nc(OCC3CNCCO3)c3ccccc32)cc1F
InChIInChI=1S/C18H17F2N3O2/c19-15-6-5-12(9-16(15)20)23-17-4-2-1-3-14(17)18(22-23)25-11-13-10-21-7-8-24-13/h1-6,9,13,21H,7-8,10-11H2
InChIKeyHHCVWJISGXXXOF-UHFFFAOYSA-N
XLogP2.67
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,4-difluorophenyl)-3-(piperidin-3-ylmethoxy)indazole
CID 68531522
1-(4-chlorophenyl)-3-(piperidin-3-ylmethoxy)indazole
CID 68531582
2-[(3-fluoro-2-pyridinyl)oxymethyl]morpholine
CID 114468958
2-[(5-chloro-3-fluoro-2-pyridinyl)oxymethyl]morpholine
CID 114469123
1-(2,4-difluorophenyl)-3-[[(3S)-pyrrolidin-3-yl]methoxy]indazole
CID 11667059
(2R)-2-[(5-fluoroquinolin-8-yl)oxymethyl]morpholine
CID 54428524
2-[[3-(morpholin-2-ylmethoxy)pyrazin-2-yl]oxymethyl]morpholine
CID 68542805
2-[2-[[1-(3,4-difluorophenyl)pyrazol-3-yl]methoxy]ethyl]morpholine
CID 150930159
2-[(4-chlorophenoxy)methyl]morpholine
CID 19964403
(2S)-2-[[2,4,6-trifluoro-3-(3-fluorophenyl)phenoxy]methyl]morpholine;hydrochloride
CID 87510835
(2S)-2-[(2,6-dichlorophenoxy)methyl]morpholine
CID 42048862
2-[(4-benzylphenoxy)methyl]morpholine
CID 64533663

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3,4-difluorophenyl)indazol-3-yl]oxymethyl]morpholine?
The IUPAC name of 2-[[1-(3,4-difluorophenyl)indazol-3-yl]oxymethyl]morpholine (CID 25120226) is 2-[[1-(3,4-difluorophenyl)indazol-3-yl]oxymethyl]morpholine.
What is the SMILES notation for 2-[[1-(3,4-difluorophenyl)indazol-3-yl]oxymethyl]morpholine?
The canonical SMILES for 2-[[1-(3,4-difluorophenyl)indazol-3-yl]oxymethyl]morpholine is Fc1ccc(-n2nc(OCC3CNCCO3)c3ccccc32)cc1F.
What is the InChIKey of 2-[[1-(3,4-difluorophenyl)indazol-3-yl]oxymethyl]morpholine?
The InChIKey is HHCVWJISGXXXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c19-15-6-5-12(9-16(15)20)23-17-4-2-1-3-14(17)18(22-23)25-11-13-10-21-7-8-24-13/h1-6,9,13,21H,7-8,10-11H2.
What are the key properties of 2-[[1-(3,4-difluorophenyl)indazol-3-yl]oxymethyl]morpholine?
2-[[1-(3,4-difluorophenyl)indazol-3-yl]oxymethyl]morpholine has a molecular weight of 345.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3,4-difluorophenyl)indazol-3-yl]oxymethyl]morpholine is sourced from PubChem (CID 25120226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).