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

C14H17BrF3NO2 — CID 114779373

IUPAC[4-[4-bromo-2-(trifluoromethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2ccc(Br)cc2C(F)(F)F)CC(CO)O1
InChIInChI=1S/C14H17BrF3NO2/c1-13(2)8-19(6-10(7-20)21-13)12-4-3-9(15)5-11(12)14(16,17)18/h3-5,10,20H,6-8H2,1-2H3
InChIKeyYGBXNPJSKRCWRD-UHFFFAOYSA-N
MW368.19 g/mol
LogP3.44
Rot. Bonds2

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

[4-[4-bromo-2-(trifluoromethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114779373) has the molecular formula C14H17BrF3NO2 and a molecular weight of 368.19 g/mol. Its IUPAC name is [4-[4-bromo-2-(trifluoromethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-bromo-2-(trifluoromethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114779373
Molecular FormulaC14H17BrF3NO2
Molecular Weight368.19 g/mol
Exact Mass367.04
IUPAC Name[4-[4-bromo-2-(trifluoromethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
SMILESCC1(C)CN(c2ccc(Br)cc2C(F)(F)F)CC(CO)O1
InChIInChI=1S/C14H17BrF3NO2/c1-13(2)8-19(6-10(7-20)21-13)12-4-3-9(15)5-11(12)14(16,17)18/h3-5,10,20H,6-8H2,1-2H3
InChIKeyYGBXNPJSKRCWRD-UHFFFAOYSA-N
XLogP3.44
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-[4-bromo-2-(trifluoromethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[4-bromo-2-(trifluoromethyl)phenyl]-6-methylmorpholin-2-yl]methanol
CID 102935226
[4-[5-bromo-2-(methylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777542
4-bromo-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarbothioamide
CID 114903570
[4-[5-bromo-2-(ethylaminomethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777528
[4-[5-bromo-2-[1-(methylamino)ethyl]phenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114777236
2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-5-methylbenzaldehyde
CID 114054264
(1S)-1-[5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol
CID 104969871
1-[3-chloro-4-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]phenyl]ethanol
CID 114777393
5-fluoro-2-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzenecarbothioamide
CID 114776979
[4-(4-bromo-5-fluoro-2-nitrophenyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114779458
[4-[2-(aminomethyl)-4-chlorophenyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114776297
4-amino-3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]benzamide
CID 114776221

Frequently Asked Questions

What is the IUPAC name of [4-[4-bromo-2-(trifluoromethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-[4-bromo-2-(trifluoromethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol (CID 114779373) is [4-[4-bromo-2-(trifluoromethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-[4-bromo-2-(trifluoromethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-[4-bromo-2-(trifluoromethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol is CC1(C)CN(c2ccc(Br)cc2C(F)(F)F)CC(CO)O1.
What is the InChIKey of [4-[4-bromo-2-(trifluoromethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is YGBXNPJSKRCWRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF3NO2/c1-13(2)8-19(6-10(7-20)21-13)12-4-3-9(15)5-11(12)14(16,17)18/h3-5,10,20H,6-8H2,1-2H3.
What are the key properties of [4-[4-bromo-2-(trifluoromethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol?
[4-[4-bromo-2-(trifluoromethyl)phenyl]-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 368.19 g/mol, XLogP of 3.44, 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]-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114779373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).