4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile

C13H12F2N2O2 — CID 82814599

IUPAC4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile
SMILESCc1ccc(F)c(C(=O)N2CCOC(C#N)C2)c1F
InChIInChI=1S/C13H12F2N2O2/c1-8-2-3-10(14)11(12(8)15)13(18)17-4-5-19-9(6-16)7-17/h2-3,9H,4-5,7H2,1H3
InChIKeyGOPACPCCIFSCFL-UHFFFAOYSA-N
MW266.25 g/mol
LogP1.64
Rot. Bonds1

About 4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile

4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile (PubChem CID 82814599) has the molecular formula C13H12F2N2O2 and a molecular weight of 266.25 g/mol. Its IUPAC name is 4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile
PubChem CID82814599
Molecular FormulaC13H12F2N2O2
Molecular Weight266.25 g/mol
Exact Mass266.09
IUPAC Name4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile
SMILESCc1ccc(F)c(C(=O)N2CCOC(C#N)C2)c1F
InChIInChI=1S/C13H12F2N2O2/c1-8-2-3-10(14)11(12(8)15)13(18)17-4-5-19-9(6-16)7-17/h2-3,9H,4-5,7H2,1H3
InChIKeyGOPACPCCIFSCFL-UHFFFAOYSA-N
XLogP1.64
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-fluoro-2-methylbenzoyl)morpholine-2-carbonitrile
CID 78945949
2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82798384
4-(3,4-difluorobenzoyl)morpholine-2-carbonitrile
CID 78945954
4-(2-fluoro-4-methylbenzoyl)morpholine-2-carbonitrile
CID 71977681
4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile
CID 78945835
4-(3-chloro-4-fluorobenzoyl)morpholine-2-carbonitrile
CID 81435497
4-(2,4,5-trifluoro-3-hydroxybenzoyl)morpholine-2-carbonitrile
CID 79674344
4-(3,5-dimethylbenzoyl)morpholine-2-carbonitrile
CID 78945545
4-(2-methylfuran-3-carbonyl)morpholine-2-carbonitrile
CID 78945652
(2,6-difluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 82816607
4-(3-methylpyridine-2-carbonyl)morpholine-2-carbonitrile
CID 79674607
4-(4-amino-2-methylbenzoyl)morpholine-2-carbonitrile
CID 79664102

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile (CID 82814599) is 4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile is Cc1ccc(F)c(C(=O)N2CCOC(C#N)C2)c1F.
What is the InChIKey of 4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile?
The InChIKey is GOPACPCCIFSCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O2/c1-8-2-3-10(14)11(12(8)15)13(18)17-4-5-19-9(6-16)7-17/h2-3,9H,4-5,7H2,1H3.
What are the key properties of 4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile?
4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile has a molecular weight of 266.25 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-3-methylbenzoyl)morpholine-2-carbonitrile is sourced from PubChem (CID 82814599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).