1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol

C8H14BrF2NO2 — CID 107140363

IUPAC1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol
SMILESCC(O)(CC1COCCN1)C(F)(F)Br
InChIInChI=1S/C8H14BrF2NO2/c1-7(13,8(9,10)11)4-6-5-14-3-2-12-6/h6,12-13H,2-5H2,1H3
InChIKeyCMTOGPGFVPWJSW-UHFFFAOYSA-N
MW274.11 g/mol
LogP1.10
Rot. Bonds3

About 1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol

1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol (PubChem CID 107140363) has the molecular formula C8H14BrF2NO2 and a molecular weight of 274.11 g/mol. Its IUPAC name is 1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol.

Molecular Properties

Compound Name1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol
PubChem CID107140363
Molecular FormulaC8H14BrF2NO2
Molecular Weight274.11 g/mol
Exact Mass273.02
IUPAC Name1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol
SMILESCC(O)(CC1COCCN1)C(F)(F)Br
InChIInChI=1S/C8H14BrF2NO2/c1-7(13,8(9,10)11)4-6-5-14-3-2-12-6/h6,12-13H,2-5H2,1H3
InChIKeyCMTOGPGFVPWJSW-UHFFFAOYSA-N
XLogP1.10
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.11
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3,3,3-trifluoro-2-methyl-2-(morpholin-3-ylmethyl)propanoic acid
CID 166703195
2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol
CID 113462063
3-[2-(3-bromo-2,6-difluorophenyl)-2-fluoropropyl]morpholine
CID 106943968
3-[(2-methylpropan-2-yl)oxymethyl]morpholine
CID 58365003
1-(4-chloro-2-fluorophenyl)-2-methyl-3-morpholin-3-ylpropan-2-ol
CID 114852724
2-(5-methyl-1-benzofuran-2-yl)-1-morpholin-3-ylpropan-2-ol
CID 114724818
3-(bromomethyl)morpholine
CID 70577689
2-(3-chloro-4-methylphenyl)-1-morpholin-3-ylpropan-2-ol
CID 107559679
3-[3-(2,3-dichlorophenyl)-2-fluoro-2-methylpropyl]morpholine
CID 107311248
3-[2-fluoro-2-methyl-4-(1-methylpyrazol-4-yl)butyl]morpholine
CID 103023218
ethane;2-methyl-N-(morpholin-3-ylmethyl)butan-2-amine
CID 142596245
2-[3-(2-methylpropyl)phenyl]-1-morpholin-3-ylpropan-2-ol
CID 116542872

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol?
The IUPAC name of 1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol (CID 107140363) is 1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol.
What is the SMILES notation for 1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol?
The canonical SMILES for 1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol is CC(O)(CC1COCCN1)C(F)(F)Br.
What is the InChIKey of 1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol?
The InChIKey is CMTOGPGFVPWJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrF2NO2/c1-7(13,8(9,10)11)4-6-5-14-3-2-12-6/h6,12-13H,2-5H2,1H3.
What are the key properties of 1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol?
1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol has a molecular weight of 274.11 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1,1-difluoro-2-methyl-3-morpholin-3-ylpropan-2-ol is sourced from PubChem (CID 107140363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).