2,2-difluoro-7-(morpholin-4-ylmethyl)-3,4-dihydro-1,4-benzoxazine

C13H16F2N2O2 — CID 18753049

IUPAC2,2-difluoro-7-(morpholin-4-ylmethyl)-3,4-dihydro-1,4-benzoxazine
SMILESFC1(F)CNc2ccc(CN3CCOCC3)cc2O1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)9-16-11-2-1-10(7-12(11)19-13)8-17-3-5-18-6-4-17/h1-2,7,16H,3-6,8-9H2
InChIKeyYLERXLUHWDCEDB-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.92
Rot. Bonds2

About 2,2-difluoro-7-(morpholin-4-ylmethyl)-3,4-dihydro-1,4-benzoxazine

2,2-difluoro-7-(morpholin-4-ylmethyl)-3,4-dihydro-1,4-benzoxazine (PubChem CID 18753049) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2,2-difluoro-7-(morpholin-4-ylmethyl)-3,4-dihydro-1,4-benzoxazine.

Molecular Properties

Compound Name2,2-difluoro-7-(morpholin-4-ylmethyl)-3,4-dihydro-1,4-benzoxazine
PubChem CID18753049
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2,2-difluoro-7-(morpholin-4-ylmethyl)-3,4-dihydro-1,4-benzoxazine
SMILESFC1(F)CNc2ccc(CN3CCOCC3)cc2O1
InChIInChI=1S/C13H16F2N2O2/c14-13(15)9-16-11-2-1-10(7-12(11)19-13)8-17-3-5-18-6-4-17/h1-2,7,16H,3-6,8-9H2
InChIKeyYLERXLUHWDCEDB-UHFFFAOYSA-N
XLogP1.92
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-difluoro-7-(morpholin-4-ylmethyl)-3,4-dihydro-1,4-benzoxazine 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 2,2-difluoro-7-(morpholin-4-ylmethyl)-3,4-dihydro-1,4-benzoxazine?
The IUPAC name of 2,2-difluoro-7-(morpholin-4-ylmethyl)-3,4-dihydro-1,4-benzoxazine (CID 18753049) is 2,2-difluoro-7-(morpholin-4-ylmethyl)-3,4-dihydro-1,4-benzoxazine.
What is the SMILES notation for 2,2-difluoro-7-(morpholin-4-ylmethyl)-3,4-dihydro-1,4-benzoxazine?
The canonical SMILES for 2,2-difluoro-7-(morpholin-4-ylmethyl)-3,4-dihydro-1,4-benzoxazine is FC1(F)CNc2ccc(CN3CCOCC3)cc2O1.
What is the InChIKey of 2,2-difluoro-7-(morpholin-4-ylmethyl)-3,4-dihydro-1,4-benzoxazine?
The InChIKey is YLERXLUHWDCEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c14-13(15)9-16-11-2-1-10(7-12(11)19-13)8-17-3-5-18-6-4-17/h1-2,7,16H,3-6,8-9H2.
What are the key properties of 2,2-difluoro-7-(morpholin-4-ylmethyl)-3,4-dihydro-1,4-benzoxazine?
2,2-difluoro-7-(morpholin-4-ylmethyl)-3,4-dihydro-1,4-benzoxazine has a molecular weight of 270.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-7-(morpholin-4-ylmethyl)-3,4-dihydro-1,4-benzoxazine is sourced from PubChem (CID 18753049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).