(2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine

C18H18BrF3N2O2 — CID 96542411

IUPAC(2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine
SMILESFC(F)(F)COc1ccc(CN2CCO[C@H](c3cccc(Br)c3)C2)cn1
InChIInChI=1S/C18H18BrF3N2O2/c19-15-3-1-2-14(8-15)16-11-24(6-7-25-16)10-13-4-5-17(23-9-13)26-12-18(20,21)22/h1-5,8-9,16H,6-7,10-12H2/t16-/m0/s1
InChIKeyUUNCLTPEQMXKCT-INIZCTEOSA-N
MW431.25 g/mol
LogP4.36
Rot. Bonds5

About (2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine

(2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine (PubChem CID 96542411) has the molecular formula C18H18BrF3N2O2 and a molecular weight of 431.25 g/mol. Its IUPAC name is (2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine
PubChem CID96542411
Molecular FormulaC18H18BrF3N2O2
Molecular Weight431.25 g/mol
Exact Mass430.05
IUPAC Name(2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine
SMILESFC(F)(F)COc1ccc(CN2CCO[C@H](c3cccc(Br)c3)C2)cn1
InChIInChI=1S/C18H18BrF3N2O2/c19-15-3-1-2-14(8-15)16-11-24(6-7-25-16)10-13-4-5-17(23-9-13)26-12-18(20,21)22/h1-5,8-9,16H,6-7,10-12H2/t16-/m0/s1
InChIKeyUUNCLTPEQMXKCT-INIZCTEOSA-N
XLogP4.36
TPSA34.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.25
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine with MolForge

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Related Compounds

(2S)-2-(3-bromophenyl)-4-(2,2-dimethoxyethyl)morpholine
CID 99640543
2-(3-bromophenyl)-4-[2-(3-fluorophenoxy)ethyl]morpholine
CID 60609509
2-[(2S)-2-(3-bromophenyl)morpholin-4-yl]acetic acid
CID 124704474
1-propan-2-yl-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]piperazine
CID 126752868
(2S)-2-(3-bromophenyl)-4-(oxan-4-ylmethyl)morpholine
CID 95315646
N-[(3-bromophenyl)methyl]-6-(2,2,2-trifluoroethoxy)pyridin-3-amine
CID 43677154
methyl (2S)-3-[(2R)-2-(3-bromophenyl)morpholin-4-yl]-2-hydroxy-2-methylpropanoate
CID 97317840
2-(3-bromophenyl)-4-methylmorpholine
CID 82184638
N-(3-chlorophenyl)-5-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyridin-2-amine
CID 24955167
1-[2-(3-bromophenyl)morpholin-4-yl]-3-(2-fluorophenoxy)propan-2-ol;hydrochloride
CID 138959987
methyl 4-[4-[[2-(3-bromophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-yl]benzoate
CID 60609675
N'-methyl-2-(2-methylphenyl)-N-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine-4-carboximidamide
CID 109481092

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine?
The IUPAC name of (2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine (CID 96542411) is (2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine.
What is the SMILES notation for (2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine?
The canonical SMILES for (2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine is FC(F)(F)COc1ccc(CN2CCO[C@H](c3cccc(Br)c3)C2)cn1.
What is the InChIKey of (2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine?
The InChIKey is UUNCLTPEQMXKCT-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18BrF3N2O2/c19-15-3-1-2-14(8-15)16-11-24(6-7-25-16)10-13-4-5-17(23-9-13)26-12-18(20,21)22/h1-5,8-9,16H,6-7,10-12H2/t16-/m0/s1.
What are the key properties of (2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine?
(2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine has a molecular weight of 431.25 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromophenyl)-4-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]methyl]morpholine is sourced from PubChem (CID 96542411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).