4-[(2,6-difluorophenyl)methyl]morpholine

C11H13F2NO — CID 2845287

IUPAC4-[(2,6-difluorophenyl)methyl]morpholine
SMILESFc1cccc(F)c1CN1CCOCC1
InChIInChI=1S/C11H13F2NO/c12-10-2-1-3-11(13)9(10)8-14-4-6-15-7-5-14/h1-3H,4-8H2
InChIKeyXVSZBKRYFXZFJP-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.80
Rot. Bonds2

About 4-[(2,6-difluorophenyl)methyl]morpholine

4-[(2,6-difluorophenyl)methyl]morpholine (PubChem CID 2845287) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]morpholine
PubChem CID2845287
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4-[(2,6-difluorophenyl)methyl]morpholine
SMILESFc1cccc(F)c1CN1CCOCC1
InChIInChI=1S/C11H13F2NO/c12-10-2-1-3-11(13)9(10)8-14-4-6-15-7-5-14/h1-3H,4-8H2
InChIKeyXVSZBKRYFXZFJP-UHFFFAOYSA-N
XLogP1.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[(2,6-difluorophenyl)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

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]morpholine?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]morpholine (CID 2845287) is 4-[(2,6-difluorophenyl)methyl]morpholine.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]morpholine?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]morpholine is Fc1cccc(F)c1CN1CCOCC1.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]morpholine?
The InChIKey is XVSZBKRYFXZFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-10-2-1-3-11(13)9(10)8-14-4-6-15-7-5-14/h1-3H,4-8H2.
What are the key properties of 4-[(2,6-difluorophenyl)methyl]morpholine?
4-[(2,6-difluorophenyl)methyl]morpholine has a molecular weight of 213.23 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methyl]morpholine is sourced from PubChem (CID 2845287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).