4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,2-dimethylmorpholine

C16H23F2NO — CID 58278751

IUPAC4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,2-dimethylmorpholine
SMILESCC(C)c1ccc(N2CCOC(C)(C)C2)cc1C(F)F
InChIInChI=1S/C16H23F2NO/c1-11(2)13-6-5-12(9-14(13)15(17)18)19-7-8-20-16(3,4)10-19/h5-6,9,11,15H,7-8,10H2,1-4H3
InChIKeyAIZKOEUSBSHPHU-UHFFFAOYSA-N
MW283.36 g/mol
LogP4.36
Rot. Bonds3

About 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,2-dimethylmorpholine

4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,2-dimethylmorpholine (PubChem CID 58278751) has the molecular formula C16H23F2NO and a molecular weight of 283.36 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,2-dimethylmorpholine
PubChem CID58278751
Molecular FormulaC16H23F2NO
Molecular Weight283.36 g/mol
Exact Mass283.17
IUPAC Name4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,2-dimethylmorpholine
SMILESCC(C)c1ccc(N2CCOC(C)(C)C2)cc1C(F)F
InChIInChI=1S/C16H23F2NO/c1-11(2)13-6-5-12(9-14(13)15(17)18)19-7-8-20-16(3,4)10-19/h5-6,9,11,15H,7-8,10H2,1-4H3
InChIKeyAIZKOEUSBSHPHU-UHFFFAOYSA-N
XLogP4.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,2-dimethylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,2-dimethylmorpholine?
The IUPAC name of 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,2-dimethylmorpholine (CID 58278751) is 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,2-dimethylmorpholine?
The canonical SMILES for 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,2-dimethylmorpholine is CC(C)c1ccc(N2CCOC(C)(C)C2)cc1C(F)F.
What is the InChIKey of 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,2-dimethylmorpholine?
The InChIKey is AIZKOEUSBSHPHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2NO/c1-11(2)13-6-5-12(9-14(13)15(17)18)19-7-8-20-16(3,4)10-19/h5-6,9,11,15H,7-8,10H2,1-4H3.
What are the key properties of 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,2-dimethylmorpholine?
4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,2-dimethylmorpholine has a molecular weight of 283.36 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)-4-propan-2-ylphenyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 58278751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).