4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile

C13H13FN2O2 — CID 78945949

IUPAC4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile
SMILESCc1ccc(F)cc1C(=O)N1CCOC(C#N)C1
InChIInChI=1S/C13H13FN2O2/c1-9-2-3-10(14)6-12(9)13(17)16-4-5-18-11(7-15)8-16/h2-3,6,11H,4-5,8H2,1H3
InChIKeyMIXAWFZTRGHCIL-UHFFFAOYSA-N
MW248.26 g/mol
LogP1.50
Rot. Bonds1

About 4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile

4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile (PubChem CID 78945949) has the molecular formula C13H13FN2O2 and a molecular weight of 248.26 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile
PubChem CID78945949
Molecular FormulaC13H13FN2O2
Molecular Weight248.26 g/mol
Exact Mass248.10
IUPAC Name4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile
SMILESCc1ccc(F)cc1C(=O)N1CCOC(C#N)C1
InChIInChI=1S/C13H13FN2O2/c1-9-2-3-10(14)6-12(9)13(17)16-4-5-18-11(7-15)8-16/h2-3,6,11H,4-5,8H2,1H3
InChIKeyMIXAWFZTRGHCIL-UHFFFAOYSA-N
XLogP1.50
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-fluoro-4-methylbenzoyl)morpholine-2-carbonitrile
CID 71977681
4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile
CID 82814599
4-(4-amino-2-methylbenzoyl)morpholine-2-carbonitrile
CID 79664102
4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile
CID 78945652
4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile
CID 78945835
4-(2,4,5-trifluoro-3-hydroxybenzoyl)morpholine-2-carbonitrile
CID 79674344
4-(6-fluoro-1-benzothiophene-2-carbonyl)morpholine-2-carbonitrile
CID 78945682
4-(3,5-dimethylbenzoyl)morpholine-2-carbonitrile
CID 78945545
4-(2,4-dihydroxybenzoyl)morpholine-2-carbonitrile
CID 103892457
4-(3,4-difluorobenzoyl)morpholine-2-carbonitrile
CID 78945954
4-(5-bromo-2-chlorobenzoyl)morpholine-2-carbonitrile
CID 78945745
4-(3-chloro-4-fluorobenzoyl)morpholine-2-carbonitrile
CID 81435497

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile (CID 78945949) is 4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile is Cc1ccc(F)cc1C(=O)N1CCOC(C#N)C1.
What is the InChIKey of 4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile?
The InChIKey is MIXAWFZTRGHCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2/c1-9-2-3-10(14)6-12(9)13(17)16-4-5-18-11(7-15)8-16/h2-3,6,11H,4-5,8H2,1H3.
What are the key properties of 4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile?
4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile has a molecular weight of 248.26 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78945949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).