[4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol

C12H15BrFNO2 — CID 79833294

IUPAC[4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol
SMILESOCC1CN(Cc2ccc(F)c(Br)c2)CCO1
InChIInChI=1S/C12H15BrFNO2/c13-11-5-9(1-2-12(11)14)6-15-3-4-17-10(7-15)8-16/h1-2,5,10,16H,3-4,6-8H2
InChIKeyIAWLXXLNIYJWEP-UHFFFAOYSA-N
MW304.16 g/mol
LogP1.78
Rot. Bonds3

About [4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol

[4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol (PubChem CID 79833294) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is [4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol
PubChem CID79833294
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name[4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol
SMILESOCC1CN(Cc2ccc(F)c(Br)c2)CCO1
InChIInChI=1S/C12H15BrFNO2/c13-11-5-9(1-2-12(11)14)6-15-3-4-17-10(7-15)8-16/h1-2,5,10,16H,3-4,6-8H2
InChIKeyIAWLXXLNIYJWEP-UHFFFAOYSA-N
XLogP1.78
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-amino-3-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 81205798
[4-[(3-fluoro-4-nitrophenyl)methyl]morpholin-2-yl]methanol
CID 81203095
methyl 2-fluoro-4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoate
CID 103749535
2-(bromomethyl)-4-[(3-chloro-4-fluorophenyl)methyl]morpholine
CID 103041391
[(3S)-1-[(3-bromo-4-fluorophenyl)methyl]piperidin-3-yl]methanol
CID 40514424
2-bromo-4-[(2-ethylmorpholin-4-yl)methyl]phenol
CID 82976620
[4-[(5-bromo-3-pyridinyl)methyl]morpholin-2-yl]methanol
CID 115681315
[(2R)-4-benzylmorpholin-2-yl]methanol;hydrochloride
CID 132648231
[4-[(2-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 79832856
4-[[2-(hydroxymethyl)morpholin-4-yl]methyl]benzoic acid
CID 81205300
[4-(pyridin-4-ylmethyl)morpholin-2-yl]methanol
CID 79841050
1-[(3-bromo-4-fluorophenyl)methyl]-3-(chloromethyl)pyrrolidine
CID 63388237

Frequently Asked Questions

What is the IUPAC name of [4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol?
The IUPAC name of [4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol (CID 79833294) is [4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol.
What is the SMILES notation for [4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol?
The canonical SMILES for [4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol is OCC1CN(Cc2ccc(F)c(Br)c2)CCO1.
What is the InChIKey of [4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol?
The InChIKey is IAWLXXLNIYJWEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c13-11-5-9(1-2-12(11)14)6-15-3-4-17-10(7-15)8-16/h1-2,5,10,16H,3-4,6-8H2.
What are the key properties of [4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol?
[4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol has a molecular weight of 304.16 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-bromo-4-fluorophenyl)methyl]morpholin-2-yl]methanol is sourced from PubChem (CID 79833294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).