(2,3-difluoro-4-methylphenyl)-morpholin-4-ylmethanone

C12H13F2NO2 — CID 2210872

IUPAC(2,3-difluoro-4-methylphenyl)-morpholin-4-ylmethanone
SMILESCc1ccc(C(=O)N2CCOCC2)c(F)c1F
InChIInChI=1S/C12H13F2NO2/c1-8-2-3-9(11(14)10(8)13)12(16)15-4-6-17-7-5-15/h2-3H,4-7H2,1H3
InChIKeyDSXOAVFSKJNECB-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.75
Rot. Bonds1

About (2,3-difluoro-4-methylphenyl)-morpholin-4-ylmethanone

(2,3-difluoro-4-methylphenyl)-morpholin-4-ylmethanone (PubChem CID 2210872) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is (2,3-difluoro-4-methylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2,3-difluoro-4-methylphenyl)-morpholin-4-ylmethanone
PubChem CID2210872
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name(2,3-difluoro-4-methylphenyl)-morpholin-4-ylmethanone
SMILESCc1ccc(C(=O)N2CCOCC2)c(F)c1F
InChIInChI=1S/C12H13F2NO2/c1-8-2-3-9(11(14)10(8)13)12(16)15-4-6-17-7-5-15/h2-3H,4-7H2,1H3
InChIKeyDSXOAVFSKJNECB-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-4-methylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (2,3-difluoro-4-methylphenyl)-morpholin-4-ylmethanone (CID 2210872) is (2,3-difluoro-4-methylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2,3-difluoro-4-methylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (2,3-difluoro-4-methylphenyl)-morpholin-4-ylmethanone is Cc1ccc(C(=O)N2CCOCC2)c(F)c1F.
What is the InChIKey of (2,3-difluoro-4-methylphenyl)-morpholin-4-ylmethanone?
The InChIKey is DSXOAVFSKJNECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-8-2-3-9(11(14)10(8)13)12(16)15-4-6-17-7-5-15/h2-3H,4-7H2,1H3.
What are the key properties of (2,3-difluoro-4-methylphenyl)-morpholin-4-ylmethanone?
(2,3-difluoro-4-methylphenyl)-morpholin-4-ylmethanone has a molecular weight of 241.24 g/mol, XLogP of 1.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluoro-4-methylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 2210872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).