(2S)-2-(2-bromophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine

C16H14BrF3N2O — CID 95694224

IUPAC(2S)-2-(2-bromophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESFC(F)(F)c1cccnc1N1CCO[C@@H](c2ccccc2Br)C1
InChIInChI=1S/C16H14BrF3N2O/c17-13-6-2-1-4-11(13)14-10-22(8-9-23-14)15-12(16(18,19)20)5-3-7-21-15/h1-7,14H,8-10H2/t14-/m1/s1
InChIKeySUFJOXUUYFNFGI-CQSZACIVSA-N
MW387.20 g/mol
LogP4.44
Rot. Bonds2

About (2S)-2-(2-bromophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine

(2S)-2-(2-bromophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine (PubChem CID 95694224) has the molecular formula C16H14BrF3N2O and a molecular weight of 387.20 g/mol. Its IUPAC name is (2S)-2-(2-bromophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(2-bromophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine
PubChem CID95694224
Molecular FormulaC16H14BrF3N2O
Molecular Weight387.20 g/mol
Exact Mass386.02
IUPAC Name(2S)-2-(2-bromophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine
SMILESFC(F)(F)c1cccnc1N1CCO[C@@H](c2ccccc2Br)C1
InChIInChI=1S/C16H14BrF3N2O/c17-13-6-2-1-4-11(13)14-10-22(8-9-23-14)15-12(16(18,19)20)5-3-7-21-15/h1-7,14H,8-10H2/t14-/m1/s1
InChIKeySUFJOXUUYFNFGI-CQSZACIVSA-N
XLogP4.44
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.20
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-bromophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine?
The IUPAC name of (2S)-2-(2-bromophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine (CID 95694224) is (2S)-2-(2-bromophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine.
What is the SMILES notation for (2S)-2-(2-bromophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine?
The canonical SMILES for (2S)-2-(2-bromophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine is FC(F)(F)c1cccnc1N1CCO[C@@H](c2ccccc2Br)C1.
What is the InChIKey of (2S)-2-(2-bromophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine?
The InChIKey is SUFJOXUUYFNFGI-CQSZACIVSA-N. The full InChI is InChI=1S/C16H14BrF3N2O/c17-13-6-2-1-4-11(13)14-10-22(8-9-23-14)15-12(16(18,19)20)5-3-7-21-15/h1-7,14H,8-10H2/t14-/m1/s1.
What are the key properties of (2S)-2-(2-bromophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine?
(2S)-2-(2-bromophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine has a molecular weight of 387.20 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-bromophenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine is sourced from PubChem (CID 95694224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).