3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride

C11H13ClF3NO2 — CID 154810211

IUPAC3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc(C2COCCN2)cc1
InChIInChI=1S/C11H12F3NO2.ClH/c12-11(13,14)17-9-3-1-8(2-4-9)10-7-16-6-5-15-10;/h1-4,10,15H,5-7H2;1H
InChIKeyQCQQSKSXLGYTFB-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.67
Rot. Bonds2

About 3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride

3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride (PubChem CID 154810211) has the molecular formula C11H13ClF3NO2 and a molecular weight of 283.68 g/mol. Its IUPAC name is 3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride.

Molecular Properties

Compound Name3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride
PubChem CID154810211
Molecular FormulaC11H13ClF3NO2
Molecular Weight283.68 g/mol
Exact Mass283.06
IUPAC Name3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride
SMILESCl.FC(F)(F)Oc1ccc(C2COCCN2)cc1
InChIInChI=1S/C11H12F3NO2.ClH/c12-11(13,14)17-9-3-1-8(2-4-9)10-7-16-6-5-15-10;/h1-4,10,15H,5-7H2;1H
InChIKeyQCQQSKSXLGYTFB-UHFFFAOYSA-N
XLogP2.67
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride 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

(3S)-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]morpholine
CID 95451553
(3S)-3-(4-fluorophenyl)morpholine
CID 22860769
4-[(3R)-morpholin-3-yl]benzenethiol
CID 130654195
(3S)-3-(4-iodophenyl)morpholine
CID 130690924
(3S)-3-[2-(trifluoromethoxy)phenyl]morpholine
CID 171193298
3-[2-[4-(trifluoromethoxy)phenyl]ethyl]morpholine
CID 104704065
(3R)-3-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]morpholine;hydrochloride
CID 171192722
3-[4-(2-methylpropoxy)phenyl]morpholine
CID 82291237
4-morpholin-3-ylbenzoic acid
CID 83439810
(3S)-3-[6-(trifluoromethyl)-3-pyridinyl]morpholine
CID 118888705
3-[4-(trifluoromethoxy)phenyl]-1,4-thiazepane
CID 66218272
(3S)-3-(4-methylsulfonylphenyl)morpholine;hydrochloride
CID 171192994

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride?
The IUPAC name of 3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride (CID 154810211) is 3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride.
What is the SMILES notation for 3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride?
The canonical SMILES for 3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride is Cl.FC(F)(F)Oc1ccc(C2COCCN2)cc1.
What is the InChIKey of 3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride?
The InChIKey is QCQQSKSXLGYTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2.ClH/c12-11(13,14)17-9-3-1-8(2-4-9)10-7-16-6-5-15-10;/h1-4,10,15H,5-7H2;1H.
What are the key properties of 3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride?
3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride has a molecular weight of 283.68 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethoxy)phenyl]morpholine;hydrochloride is sourced from PubChem (CID 154810211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).