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

C12H13BrF3NO2 — CID 79838778

IUPAC[4-[4-bromo-2-(trifluoromethyl)phenyl]morpholin-2-yl]methanol
SMILESOCC1CN(c2ccc(Br)cc2C(F)(F)F)CCO1
InChIInChI=1S/C12H13BrF3NO2/c13-8-1-2-11(10(5-8)12(14,15)16)17-3-4-19-9(6-17)7-18/h1-2,5,9,18H,3-4,6-7H2
InChIKeyQAZBPZQBYQAWQO-UHFFFAOYSA-N
MW340.14 g/mol
LogP2.67
Rot. Bonds2

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

[4-[4-bromo-2-(trifluoromethyl)phenyl]morpholin-2-yl]methanol (PubChem CID 79838778) has the molecular formula C12H13BrF3NO2 and a molecular weight of 340.14 g/mol. Its IUPAC name is [4-[4-bromo-2-(trifluoromethyl)phenyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-bromo-2-(trifluoromethyl)phenyl]morpholin-2-yl]methanol
PubChem CID79838778
Molecular FormulaC12H13BrF3NO2
Molecular Weight340.14 g/mol
Exact Mass339.01
IUPAC Name[4-[4-bromo-2-(trifluoromethyl)phenyl]morpholin-2-yl]methanol
SMILESOCC1CN(c2ccc(Br)cc2C(F)(F)F)CCO1
InChIInChI=1S/C12H13BrF3NO2/c13-8-1-2-11(10(5-8)12(14,15)16)17-3-4-19-9(6-17)7-18/h1-2,5,9,18H,3-4,6-7H2
InChIKeyQAZBPZQBYQAWQO-UHFFFAOYSA-N
XLogP2.67
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[4-bromo-2-(trifluoromethyl)phenyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[4-bromo-2-(trifluoromethyl)phenyl]morpholin-2-yl]methanol (CID 79838778) is [4-[4-bromo-2-(trifluoromethyl)phenyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[4-bromo-2-(trifluoromethyl)phenyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[4-bromo-2-(trifluoromethyl)phenyl]morpholin-2-yl]methanol is OCC1CN(c2ccc(Br)cc2C(F)(F)F)CCO1.
What is the InChIKey of [4-[4-bromo-2-(trifluoromethyl)phenyl]morpholin-2-yl]methanol?
The InChIKey is QAZBPZQBYQAWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrF3NO2/c13-8-1-2-11(10(5-8)12(14,15)16)17-3-4-19-9(6-17)7-18/h1-2,5,9,18H,3-4,6-7H2.
What are the key properties of [4-[4-bromo-2-(trifluoromethyl)phenyl]morpholin-2-yl]methanol?
[4-[4-bromo-2-(trifluoromethyl)phenyl]morpholin-2-yl]methanol has a molecular weight of 340.14 g/mol, XLogP of 2.67, 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]morpholin-2-yl]methanol is sourced from PubChem (CID 79838778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).