2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol

C13H17F2NO2 — CID 113462063

IUPAC2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol
SMILESCC(O)(CC1COCCN1)c1c(F)cccc1F
InChIInChI=1S/C13H17F2NO2/c1-13(17,7-9-8-18-6-5-16-9)12-10(14)3-2-4-11(12)15/h2-4,9,16-17H,5-8H2,1H3
InChIKeyAINCNVWWIWQDRV-UHFFFAOYSA-N
MW257.28 g/mol
LogP1.55
Rot. Bonds3

About 2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol

2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol (PubChem CID 113462063) has the molecular formula C13H17F2NO2 and a molecular weight of 257.28 g/mol. Its IUPAC name is 2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol.

Molecular Properties

Compound Name2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol
PubChem CID113462063
Molecular FormulaC13H17F2NO2
Molecular Weight257.28 g/mol
Exact Mass257.12
IUPAC Name2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol
SMILESCC(O)(CC1COCCN1)c1c(F)cccc1F
InChIInChI=1S/C13H17F2NO2/c1-13(17,7-9-8-18-6-5-16-9)12-10(14)3-2-4-11(12)15/h2-4,9,16-17H,5-8H2,1H3
InChIKeyAINCNVWWIWQDRV-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.28
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol
CID 116542872
3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine
CID 106943968
1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol
CID 107140363
1-(4-chloro-2-fluorophenyl)-2-methyl-3-morpholin-3-ylpropan-2-ol
CID 114852724
3-[2-(2,6-difluorophenyl)ethyl]morpholine
CID 104704070
2-(3-chloro-4-methylphenyl)-1-morpholin-3-ylpropan-2-ol
CID 107559679
2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol
CID 114724818
3-[(2-chloro-6-fluorophenyl)methyl]morpholine
CID 82288651
3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine
CID 107311248
2-fluoro-6-hydroxy-N-(morpholin-3-ylmethyl)benzamide
CID 107016112
3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine
CID 112741025
1-(2-fluorophenyl)-N,N-dimethyl-2-morpholin-3-ylethanamine
CID 116911058

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol?
The IUPAC name of 2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol (CID 113462063) is 2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol.
What is the SMILES notation for 2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol?
The canonical SMILES for 2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol is CC(O)(CC1COCCN1)c1c(F)cccc1F.
What is the InChIKey of 2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol?
The InChIKey is AINCNVWWIWQDRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO2/c1-13(17,7-9-8-18-6-5-16-9)12-10(14)3-2-4-11(12)15/h2-4,9,16-17H,5-8H2,1H3.
What are the key properties of 2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol?
2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol has a molecular weight of 257.28 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol is sourced from PubChem (CID 113462063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).