1-(Trifluoromethyl)-2-(morpholinomethyl)benzene

C12H14F3NO — CID 782689

IUPAC4-[[2-(trifluoromethyl)phenyl]methyl]morpholine
SMILESC1COCCN1CC2=CC=CC=C2C(F)(F)F
InChIInChI=1S/C12H14F3NO/c13-12(14,15)11-4-2-1-3-10(11)9-16-5-7-17-8-6-16/h1-4H,5-9H2
InChIKeyHJNXLHRYSGRKRY-UHFFFAOYSA-N
MW245.24 g/mol
LogP2.30
Rot. Bonds2

About 1-(Trifluoromethyl)-2-(morpholinomethyl)benzene

1-(Trifluoromethyl)-2-(morpholinomethyl)benzene (PubChem CID 782689) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine.

Molecular Properties

Compound Name1-(Trifluoromethyl)-2-(morpholinomethyl)benzene
PubChem CID782689
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC Name4-[[2-(trifluoromethyl)phenyl]methyl]morpholine
SMILESC1COCCN1CC2=CC=CC=C2C(F)(F)F
InChIInChI=1S/C12H14F3NO/c13-12(14,15)11-4-2-1-3-10(11)9-16-5-7-17-8-6-16/h1-4H,5-9H2
InChIKeyHJNXLHRYSGRKRY-UHFFFAOYSA-N
XLogP2.30
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity238

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(Trifluoromethyl)-2-(morpholinomethyl)benzene 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

Morpholino(phenyl)acetonitrile
CID 85812
Thiobenzoylmorpholine
CID 16244
4-(3-Phenylpropyl)morpholine
CID 782728
2-(1,2,3,4-Tetrahydroisoquinolin-2-yl)ethan-1-ol
CID 246288
4-Benzylmorpholine
CID 249546
4-Benzylmorpholine hydrochloride
CID 2849468
4-(2-Phenylpropyl)morpholine
CID 2845855
1-(1-Phenylcyclohexyl)morpholine hydrochloride
CID 121542
2-(Morpholin-4-ylmethyl)benzeneboronic acid
CID 11736160
4-Benzylmorpholine-2-carbonitrile
CID 15651195
4-(2-Phenylethyl)morpholine
CID 411956
4-[[4-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]phenyl]methyl]morpholine
CID 118714433

Frequently Asked Questions

What is the IUPAC name of 1-(Trifluoromethyl)-2-(morpholinomethyl)benzene?
The IUPAC name of 1-(Trifluoromethyl)-2-(morpholinomethyl)benzene (CID 782689) is 4-[[2-(trifluoromethyl)phenyl]methyl]morpholine.
What is the SMILES notation for 1-(Trifluoromethyl)-2-(morpholinomethyl)benzene?
The canonical SMILES for 1-(Trifluoromethyl)-2-(morpholinomethyl)benzene is C1COCCN1CC2=CC=CC=C2C(F)(F)F.
What is the InChIKey of 1-(Trifluoromethyl)-2-(morpholinomethyl)benzene?
The InChIKey is HJNXLHRYSGRKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c13-12(14,15)11-4-2-1-3-10(11)9-16-5-7-17-8-6-16/h1-4H,5-9H2.
What are the key properties of 1-(Trifluoromethyl)-2-(morpholinomethyl)benzene?
1-(Trifluoromethyl)-2-(morpholinomethyl)benzene has a molecular weight of 245.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(Trifluoromethyl)-2-(morpholinomethyl)benzene is sourced from PubChem (CID 782689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).