[4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol

C13H15BrF3NO2 — CID 102935226

IUPAC[4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2ccc(Br)cc2C(F)(F)F)CC(CO)O1
InChIInChI=1S/C13H15BrF3NO2/c1-8-5-18(6-10(7-19)20-8)12-3-2-9(14)4-11(12)13(15,16)17/h2-4,8,10,19H,5-7H2,1H3
InChIKeyMLMMGTVFXKJJKY-UHFFFAOYSA-N
MW354.17 g/mol
LogP3.05
Rot. Bonds2

About [4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol

[4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol (PubChem CID 102935226) has the molecular formula C13H15BrF3NO2 and a molecular weight of 354.17 g/mol. Its IUPAC name is [4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol
PubChem CID102935226
Molecular FormulaC13H15BrF3NO2
Molecular Weight354.17 g/mol
Exact Mass353.02
IUPAC Name[4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol
SMILESCC1CN(c2ccc(Br)cc2C(F)(F)F)CC(CO)O1
InChIInChI=1S/C13H15BrF3NO2/c1-8-5-18(6-10(7-19)20-8)12-3-2-9(14)4-11(12)13(15,16)17/h2-4,8,10,19H,5-7H2,1H3
InChIKeyMLMMGTVFXKJJKY-UHFFFAOYSA-N
XLogP3.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.17
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[4-bromo-2-(trifluoromethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779373
[4-[2-(aminomethyl)-4-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102932063
2-(bromomethyl)-6-methyl-4-[2-(trifluoromethyl)phenyl]morpholine
CID 102937208
4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-3-methylbenzoic acid
CID 102933176
1-[4-bromo-2-(trifluoromethyl)phenyl]-3-methylpiperidin-4-ol
CID 114680873
(3R)-1-[4-bromo-2-(trifluoromethyl)phenyl]pyrrolidin-3-ol
CID 103696653
2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzenecarbothioamide
CID 107935325
2,3-difluoro-4-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]benzonitrile
CID 107934248
2-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 102932757
[4-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylmorpholin-2-yl]methanol
CID 102931988
1-[4-bromo-2-(trifluoromethyl)phenyl]-N-methylpyrrolidin-3-amine
CID 54927327
1-[4-bromo-2-(trifluoromethyl)phenyl]piperidine
CID 91620600

Frequently Asked Questions

What is the IUPAC name of [4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol?
The IUPAC name of [4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol (CID 102935226) is [4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol is CC1CN(c2ccc(Br)cc2C(F)(F)F)CC(CO)O1.
What is the InChIKey of [4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol?
The InChIKey is MLMMGTVFXKJJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3NO2/c1-8-5-18(6-10(7-19)20-8)12-3-2-9(14)4-11(12)13(15,16)17/h2-4,8,10,19H,5-7H2,1H3.
What are the key properties of [4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol?
[4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol has a molecular weight of 354.17 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol is sourced from PubChem (CID 102935226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).