3-(2,5-difluorophenyl)-4-propan-2-ylmorpholine

C13H17F2NO — CID 58334512

IUPAC3-(2,5-difluorophenyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOCC1c1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO/c1-9(2)16-5-6-17-8-13(16)11-7-10(14)3-4-12(11)15/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyZJZXQSZNYMZVMT-UHFFFAOYSA-N
MW241.28 g/mol
LogP2.75
Rot. Bonds2

About 3-(2,5-difluorophenyl)-4-propan-2-ylmorpholine

3-(2,5-difluorophenyl)-4-propan-2-ylmorpholine (PubChem CID 58334512) has the molecular formula C13H17F2NO and a molecular weight of 241.28 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-4-propan-2-ylmorpholine.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-4-propan-2-ylmorpholine
PubChem CID58334512
Molecular FormulaC13H17F2NO
Molecular Weight241.28 g/mol
Exact Mass241.13
IUPAC Name3-(2,5-difluorophenyl)-4-propan-2-ylmorpholine
SMILESCC(C)N1CCOCC1c1cc(F)ccc1F
InChIInChI=1S/C13H17F2NO/c1-9(2)16-5-6-17-8-13(16)11-7-10(14)3-4-12(11)15/h3-4,7,9,13H,5-6,8H2,1-2H3
InChIKeyZJZXQSZNYMZVMT-UHFFFAOYSA-N
XLogP2.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,5-difluorophenyl)-4-propan-2-ylmorpholine?
The IUPAC name of 3-(2,5-difluorophenyl)-4-propan-2-ylmorpholine (CID 58334512) is 3-(2,5-difluorophenyl)-4-propan-2-ylmorpholine.
What is the SMILES notation for 3-(2,5-difluorophenyl)-4-propan-2-ylmorpholine?
The canonical SMILES for 3-(2,5-difluorophenyl)-4-propan-2-ylmorpholine is CC(C)N1CCOCC1c1cc(F)ccc1F.
What is the InChIKey of 3-(2,5-difluorophenyl)-4-propan-2-ylmorpholine?
The InChIKey is ZJZXQSZNYMZVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F2NO/c1-9(2)16-5-6-17-8-13(16)11-7-10(14)3-4-12(11)15/h3-4,7,9,13H,5-6,8H2,1-2H3.
What are the key properties of 3-(2,5-difluorophenyl)-4-propan-2-ylmorpholine?
3-(2,5-difluorophenyl)-4-propan-2-ylmorpholine has a molecular weight of 241.28 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-difluorophenyl)-4-propan-2-ylmorpholine is sourced from PubChem (CID 58334512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).