2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,3-diphenylmorpholine

C25H21F6NO2 — CID 18794180

IUPAC2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,3-diphenylmorpholine
SMILESFC(F)(F)c1cc(COC2OCCNC2(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C25H21F6NO2/c26-24(27,28)20-13-17(14-21(15-20)25(29,30)31)16-34-22-23(32-11-12-33-22,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,13-15,22,32H,11-12,16H2
InChIKeyHIYUFGUIMKJWCE-UHFFFAOYSA-N
MW481.44 g/mol
LogP6.13
Rot. Bonds5

About 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,3-diphenylmorpholine

2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,3-diphenylmorpholine (PubChem CID 18794180) has the molecular formula C25H21F6NO2 and a molecular weight of 481.44 g/mol. Its IUPAC name is 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,3-diphenylmorpholine.

Molecular Properties

Compound Name2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,3-diphenylmorpholine
PubChem CID18794180
Molecular FormulaC25H21F6NO2
Molecular Weight481.44 g/mol
Exact Mass481.15
IUPAC Name2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,3-diphenylmorpholine
SMILESFC(F)(F)c1cc(COC2OCCNC2(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1
InChIInChI=1S/C25H21F6NO2/c26-24(27,28)20-13-17(14-21(15-20)25(29,30)31)16-34-22-23(32-11-12-33-22,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,13-15,22,32H,11-12,16H2
InChIKeyHIYUFGUIMKJWCE-UHFFFAOYSA-N
XLogP6.13
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.44
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,3-diphenylmorpholine 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

(2S,3S)-3-((3,5-Bis(trifluoromethyl)phenyl)methoxy)-2-phenylpiperidine
CID 132846
L-733,060 hydrochloride
CID 11957600
(S)-2-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-2-phenylpiperidine
CID 11712457
2-({[3,5-Bis(trifluoromethyl)phenyl]methoxy}methyl)-2-phenylpiperidine
CID 44346206
1-[2-[[3,5-Bis(trifluoromethyl)phenyl]methoxy]-1-(2-methylphenyl)ethyl]piperazine
CID 44358516
(2S,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholine
CID 9887525
(2R,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholine
CID 10501444
[(2S,3S)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholin-4-yl]-acetic acid methyl ester
CID 10648288
(2R,3R)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholine
CID 10692651
(2S,3R)-2-(3,5-Bis-trifluoromethyl-benzyloxy)-3-phenyl-morpholine
CID 10811257
Jdh4VT5tsv
CID 11568372
1-[1-Phenyl-2-[3,5-bis(trifluoromethyl)benzyloxy]ethyl]piperazine
CID 22353151

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,3-diphenylmorpholine?
The IUPAC name of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,3-diphenylmorpholine (CID 18794180) is 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,3-diphenylmorpholine.
What is the SMILES notation for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,3-diphenylmorpholine?
The canonical SMILES for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,3-diphenylmorpholine is FC(F)(F)c1cc(COC2OCCNC2(c2ccccc2)c2ccccc2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,3-diphenylmorpholine?
The InChIKey is HIYUFGUIMKJWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F6NO2/c26-24(27,28)20-13-17(14-21(15-20)25(29,30)31)16-34-22-23(32-11-12-33-22,18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-10,13-15,22,32H,11-12,16H2.
What are the key properties of 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,3-diphenylmorpholine?
2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,3-diphenylmorpholine has a molecular weight of 481.44 g/mol, XLogP of 6.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3,3-diphenylmorpholine is sourced from PubChem (CID 18794180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).