(2,3-difluoro-5-methylphenyl)-morpholin-4-ylmethanone

C12H13F2NO2 — CID 593124

IUPAC(2,3-difluoro-5-methylphenyl)-morpholin-4-ylmethanone
SMILESCc1cc(F)c(F)c(C(=O)N2CCOCC2)c1
InChIInChI=1S/C12H13F2NO2/c1-8-6-9(11(14)10(13)7-8)12(16)15-2-4-17-5-3-15/h6-7H,2-5H2,1H3
InChIKeyAIQQXDIEMNUZGZ-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.75
Rot. Bonds1

About (2,3-difluoro-5-methylphenyl)-morpholin-4-ylmethanone

(2,3-difluoro-5-methylphenyl)-morpholin-4-ylmethanone (PubChem CID 593124) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is (2,3-difluoro-5-methylphenyl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2,3-difluoro-5-methylphenyl)-morpholin-4-ylmethanone
PubChem CID593124
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Name(2,3-difluoro-5-methylphenyl)-morpholin-4-ylmethanone
SMILESCc1cc(F)c(F)c(C(=O)N2CCOCC2)c1
InChIInChI=1S/C12H13F2NO2/c1-8-6-9(11(14)10(13)7-8)12(16)15-2-4-17-5-3-15/h6-7H,2-5H2,1H3
InChIKeyAIQQXDIEMNUZGZ-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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Related Compounds

1-(3,4-Difluorobenzoyl)-4-methylpiperazine
CID 550711
N-Benzoylmorpholine
CID 15114
Benzamide, 4-fluoro-N-(2-(4-morpholinyl)ethyl)-
CID 835134
4-(2,3-Difluoro-4-methylbenzoyl)morpholine
CID 2210872
N-(2-Fluorobenzoyl)morpholine
CID 531931
N-(4-Fluorobenzoyl)morpholine
CID 531951
2-(3-Methylphenyl)-1-morpholin-4-ylethanone
CID 6470636
3,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzamide
CID 2200216
N-(2-keto-2-morpholino-ethyl)-3-methyl-benzamide
CID 16608759
4-Fluorophenyl 4-morpholin-4-ylpiperidyl ketone
CID 754216
2-(4-Fluorophenyl)-1-(morpholin-4-yl)ethan-1-one
CID 798469
3-Trifluoromethylbenzoic acid, morpholide
CID 531804

Frequently Asked Questions

What is the IUPAC name of (2,3-difluoro-5-methylphenyl)-morpholin-4-ylmethanone?
The IUPAC name of (2,3-difluoro-5-methylphenyl)-morpholin-4-ylmethanone (CID 593124) is (2,3-difluoro-5-methylphenyl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2,3-difluoro-5-methylphenyl)-morpholin-4-ylmethanone?
The canonical SMILES for (2,3-difluoro-5-methylphenyl)-morpholin-4-ylmethanone is Cc1cc(F)c(F)c(C(=O)N2CCOCC2)c1.
What is the InChIKey of (2,3-difluoro-5-methylphenyl)-morpholin-4-ylmethanone?
The InChIKey is AIQQXDIEMNUZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO2/c1-8-6-9(11(14)10(13)7-8)12(16)15-2-4-17-5-3-15/h6-7H,2-5H2,1H3.
What are the key properties of (2,3-difluoro-5-methylphenyl)-morpholin-4-ylmethanone?
(2,3-difluoro-5-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-5-methylphenyl)-morpholin-4-ylmethanone is sourced from PubChem (CID 593124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).