4-tert-butyl-2-(2,5-difluorophenyl)morpholine

C14H19F2NO — CID 19913609

IUPAC4-tert-butyl-2-(2,5-difluorophenyl)morpholine
SMILESCC(C)(C)N1CCOC(c2cc(F)ccc2F)C1
InChIInChI=1S/C14H19F2NO/c1-14(2,3)17-6-7-18-13(9-17)11-8-10(15)4-5-12(11)16/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyIPMBAZNHQAZDGX-UHFFFAOYSA-N
MW255.31 g/mol
LogP3.14
Rot. Bonds1

About 4-tert-butyl-2-(2,5-difluorophenyl)morpholine

4-tert-butyl-2-(2,5-difluorophenyl)morpholine (PubChem CID 19913609) has the molecular formula C14H19F2NO and a molecular weight of 255.31 g/mol. Its IUPAC name is 4-tert-butyl-2-(2,5-difluorophenyl)morpholine.

Molecular Properties

Compound Name4-tert-butyl-2-(2,5-difluorophenyl)morpholine
PubChem CID19913609
Molecular FormulaC14H19F2NO
Molecular Weight255.31 g/mol
Exact Mass255.14
IUPAC Name4-tert-butyl-2-(2,5-difluorophenyl)morpholine
SMILESCC(C)(C)N1CCOC(c2cc(F)ccc2F)C1
InChIInChI=1S/C14H19F2NO/c1-14(2,3)17-6-7-18-13(9-17)11-8-10(15)4-5-12(11)16/h4-5,8,13H,6-7,9H2,1-3H3
InChIKeyIPMBAZNHQAZDGX-UHFFFAOYSA-N
XLogP3.14
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-tert-butyl-2-(2,5-difluorophenyl)morpholine 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-tert-butyl-2-(2,5-difluorophenyl)morpholine?
The IUPAC name of 4-tert-butyl-2-(2,5-difluorophenyl)morpholine (CID 19913609) is 4-tert-butyl-2-(2,5-difluorophenyl)morpholine.
What is the SMILES notation for 4-tert-butyl-2-(2,5-difluorophenyl)morpholine?
The canonical SMILES for 4-tert-butyl-2-(2,5-difluorophenyl)morpholine is CC(C)(C)N1CCOC(c2cc(F)ccc2F)C1.
What is the InChIKey of 4-tert-butyl-2-(2,5-difluorophenyl)morpholine?
The InChIKey is IPMBAZNHQAZDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO/c1-14(2,3)17-6-7-18-13(9-17)11-8-10(15)4-5-12(11)16/h4-5,8,13H,6-7,9H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(2,5-difluorophenyl)morpholine?
4-tert-butyl-2-(2,5-difluorophenyl)morpholine has a molecular weight of 255.31 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(2,5-difluorophenyl)morpholine is sourced from PubChem (CID 19913609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).