4-[4-(difluoromethoxy)benzoyl]morpholine-2-carbonitrile

C13H12F2N2O3 — CID 78945547

IUPAC4-[4-(difluoromethoxy)benzoyl]morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2ccc(OC(F)F)cc2)CCO1
InChIInChI=1S/C13H12F2N2O3/c14-13(15)20-10-3-1-9(2-4-10)12(18)17-5-6-19-11(7-16)8-17/h1-4,11,13H,5-6,8H2
InChIKeyUUTFPGNHPROHEF-UHFFFAOYSA-N
MW282.25 g/mol
LogP1.65
Rot. Bonds3

About 4-[4-(difluoromethoxy)benzoyl]morpholine-2-carbonitrile

4-[4-(difluoromethoxy)benzoyl]morpholine-2-carbonitrile (PubChem CID 78945547) has the molecular formula C13H12F2N2O3 and a molecular weight of 282.25 g/mol. Its IUPAC name is 4-[4-(difluoromethoxy)benzoyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[4-(difluoromethoxy)benzoyl]morpholine-2-carbonitrile
PubChem CID78945547
Molecular FormulaC13H12F2N2O3
Molecular Weight282.25 g/mol
Exact Mass282.08
IUPAC Name4-[4-(difluoromethoxy)benzoyl]morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2ccc(OC(F)F)cc2)CCO1
InChIInChI=1S/C13H12F2N2O3/c14-13(15)20-10-3-1-9(2-4-10)12(18)17-5-6-19-11(7-16)8-17/h1-4,11,13H,5-6,8H2
InChIKeyUUTFPGNHPROHEF-UHFFFAOYSA-N
XLogP1.65
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.25
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-difluorobenzoyl)morpholine-2-carbonitrile
CID 78945954
4-(3,5-dimethoxybenzoyl)morpholine-2-carbonitrile
CID 78945956
4-(3,4-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945567
4-(3-chloro-4-fluorobenzoyl)morpholine-2-carbonitrile
CID 81435497
4-(3,5-dimethylbenzoyl)morpholine-2-carbonitrile
CID 78945545
4-(quinoxaline-6-carbonyl)morpholine-2-carbonitrile
CID 78945959
(4-chloropiperidin-1-yl)-[4-(difluoromethoxy)phenyl]methanone
CID 63390547
4-(pyridine-3-carbonyl)morpholine-2-carbonitrile
CID 78945686
4-(2-aminopyridine-4-carbonyl)morpholine-2-carbonitrile
CID 79676652
4-(3-chloro-5-methylbenzoyl)morpholine-2-carbonitrile
CID 81005565
[4-(difluoromethoxy)phenyl]-[4-(4-fluorobenzoyl)piperazin-1-yl]methanone
CID 38387477
[3-(aminomethyl)pyrrolidin-1-yl]-[4-(difluoromethoxy)phenyl]methanone;hydrochloride
CID 119483399

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethoxy)benzoyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[4-(difluoromethoxy)benzoyl]morpholine-2-carbonitrile (CID 78945547) is 4-[4-(difluoromethoxy)benzoyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[4-(difluoromethoxy)benzoyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[4-(difluoromethoxy)benzoyl]morpholine-2-carbonitrile is N#CC1CN(C(=O)c2ccc(OC(F)F)cc2)CCO1.
What is the InChIKey of 4-[4-(difluoromethoxy)benzoyl]morpholine-2-carbonitrile?
The InChIKey is UUTFPGNHPROHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3/c14-13(15)20-10-3-1-9(2-4-10)12(18)17-5-6-19-11(7-16)8-17/h1-4,11,13H,5-6,8H2.
What are the key properties of 4-[4-(difluoromethoxy)benzoyl]morpholine-2-carbonitrile?
4-[4-(difluoromethoxy)benzoyl]morpholine-2-carbonitrile has a molecular weight of 282.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethoxy)benzoyl]morpholine-2-carbonitrile is sourced from PubChem (CID 78945547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).