4-[[5-[4-(1,1,1-trifluorobutan-2-yl)phenyl]thiophen-2-yl]methyl]morpholine

C19H22F3NOS — CID 71036765

IUPAC4-[[5-[4-(1,1,1-trifluorobutan-2-yl)phenyl]thiophen-2-yl]methyl]morpholine
SMILESCCC(c1ccc(-c2ccc(CN3CCOCC3)s2)cc1)C(F)(F)F
InChIInChI=1S/C19H22F3NOS/c1-2-17(19(20,21)22)14-3-5-15(6-4-14)18-8-7-16(25-18)13-23-9-11-24-12-10-23/h3-8,17H,2,9-13H2,1H3
InChIKeyQEAAAZVTFQOBKQ-UHFFFAOYSA-N
MW369.45 g/mol
LogP5.30
Rot. Bonds5

About 4-[[5-[4-(1,1,1-trifluorobutan-2-yl)phenyl]thiophen-2-yl]methyl]morpholine

4-[[5-[4-(1,1,1-trifluorobutan-2-yl)phenyl]thiophen-2-yl]methyl]morpholine (PubChem CID 71036765) has the molecular formula C19H22F3NOS and a molecular weight of 369.45 g/mol. Its IUPAC name is 4-[[5-[4-(1,1,1-trifluorobutan-2-yl)phenyl]thiophen-2-yl]methyl]morpholine.

Molecular Properties

Compound Name4-[[5-[4-(1,1,1-trifluorobutan-2-yl)phenyl]thiophen-2-yl]methyl]morpholine
PubChem CID71036765
Molecular FormulaC19H22F3NOS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name4-[[5-[4-(1,1,1-trifluorobutan-2-yl)phenyl]thiophen-2-yl]methyl]morpholine
SMILESCCC(c1ccc(-c2ccc(CN3CCOCC3)s2)cc1)C(F)(F)F
InChIInChI=1S/C19H22F3NOS/c1-2-17(19(20,21)22)14-3-5-15(6-4-14)18-8-7-16(25-18)13-23-9-11-24-12-10-23/h3-8,17H,2,9-13H2,1H3
InChIKeyQEAAAZVTFQOBKQ-UHFFFAOYSA-N
XLogP5.30
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.45
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-[[5-[4-(1,1,1-trifluorobutan-2-yl)phenyl]thiophen-2-yl]methyl]morpholine 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

2,6-dimethyl-4-[3-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54582717
2,6-dimethyl-4-[4-(trifluoromethyl)phenyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine;hydrochloride
CID 54584663
4-[[1-(Thiophen-2-ylmethyl)-4-[3-(trifluoromethyl)phenyl]pyrrolidin-3-yl]methyl]morpholine
CID 46068285
5-(2-methylpropyl)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 57325762
4-((4,5-Bis(4-(tert-butyl)phenyl)thiophen-2-yl)methyl)morpholine
CID 155516765
(2S,5E)-3-benzyl-5-[phenyl(thiophen-2-yl)methylidene]-2-(trifluoromethyl)-1,3-oxazolidine
CID 155929871
N-[(4-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 16673176
N-[(2-fluorophenyl)methyl]-N-[(3-methylthiophen-2-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 16673180
3-[2-(4-Morpholinylmethyl)phenyl]-2-thiophenecarbonitrile
CID 29107176
1-(Thiophen-2-ylmethyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperidine
CID 46089306
1-(Thiophen-2-ylmethyl)-4-[2-[4-(trifluoromethyl)phenyl]ethyl]piperidine
CID 46089344
(2S)-N-[(5-cyclohexylthiophen-2-yl)methyl]-N-methyl-2-morpholin-4-ylpropan-1-amine
CID 164632660

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[4-(1,1,1-trifluorobutan-2-yl)phenyl]thiophen-2-yl]methyl]morpholine?
The IUPAC name of 4-[[5-[4-(1,1,1-trifluorobutan-2-yl)phenyl]thiophen-2-yl]methyl]morpholine (CID 71036765) is 4-[[5-[4-(1,1,1-trifluorobutan-2-yl)phenyl]thiophen-2-yl]methyl]morpholine.
What is the SMILES notation for 4-[[5-[4-(1,1,1-trifluorobutan-2-yl)phenyl]thiophen-2-yl]methyl]morpholine?
The canonical SMILES for 4-[[5-[4-(1,1,1-trifluorobutan-2-yl)phenyl]thiophen-2-yl]methyl]morpholine is CCC(c1ccc(-c2ccc(CN3CCOCC3)s2)cc1)C(F)(F)F.
What is the InChIKey of 4-[[5-[4-(1,1,1-trifluorobutan-2-yl)phenyl]thiophen-2-yl]methyl]morpholine?
The InChIKey is QEAAAZVTFQOBKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3NOS/c1-2-17(19(20,21)22)14-3-5-15(6-4-14)18-8-7-16(25-18)13-23-9-11-24-12-10-23/h3-8,17H,2,9-13H2,1H3.
What are the key properties of 4-[[5-[4-(1,1,1-trifluorobutan-2-yl)phenyl]thiophen-2-yl]methyl]morpholine?
4-[[5-[4-(1,1,1-trifluorobutan-2-yl)phenyl]thiophen-2-yl]methyl]morpholine has a molecular weight of 369.45 g/mol, XLogP of 5.30, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[4-(1,1,1-trifluorobutan-2-yl)phenyl]thiophen-2-yl]methyl]morpholine is sourced from PubChem (CID 71036765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).