4-[4-amino-2-(difluoromethoxy)phenyl]morpholin-3-one

C11H12F2N2O3 — CID 141122127

IUPAC4-[4-amino-2-(difluoromethoxy)phenyl]morpholin-3-one
SMILESNc1ccc(N2CCOCC2=O)c(OC(F)F)c1
InChIInChI=1S/C11H12F2N2O3/c12-11(13)18-9-5-7(14)1-2-8(9)15-3-4-17-6-10(15)16/h1-2,5,11H,3-4,6,14H2
InChIKeyQPBQQDMSVWNAOH-UHFFFAOYSA-N
MW258.22 g/mol
LogP1.23
Rot. Bonds3

About 4-[4-amino-2-(difluoromethoxy)phenyl]morpholin-3-one

4-[4-amino-2-(difluoromethoxy)phenyl]morpholin-3-one (PubChem CID 141122127) has the molecular formula C11H12F2N2O3 and a molecular weight of 258.22 g/mol. Its IUPAC name is 4-[4-amino-2-(difluoromethoxy)phenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-amino-2-(difluoromethoxy)phenyl]morpholin-3-one
PubChem CID141122127
Molecular FormulaC11H12F2N2O3
Molecular Weight258.22 g/mol
Exact Mass258.08
IUPAC Name4-[4-amino-2-(difluoromethoxy)phenyl]morpholin-3-one
SMILESNc1ccc(N2CCOCC2=O)c(OC(F)F)c1
InChIInChI=1S/C11H12F2N2O3/c12-11(13)18-9-5-7(14)1-2-8(9)15-3-4-17-6-10(15)16/h1-2,5,11H,3-4,6,14H2
InChIKeyQPBQQDMSVWNAOH-UHFFFAOYSA-N
XLogP1.23
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.22
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(difluoromethoxy)-4-morpholin-4-ylaniline
CID 90104676
(2S)-2-[bis(2,2-difluoroethyl)amino]-N'-[3-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanediamide
CID 87868846
(2S)-3-amino-2-[cyclopropylmethyl(2,2-difluoroethyl)amino]-N-[3-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)phenyl]propanamide
CID 87869022
4-(2-methoxy-4-methylphenyl)morpholin-3-one
CID 165482194
4-(2-fluoro-4-methylphenyl)morpholin-3-one
CID 58845389
N-[(2S)-2-[bis(2-methylpropyl)amino]-3-[3-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]-5-chlorothiophene-2-carboxamide
CID 91367306
5-chloro-N-[(2S)-2-[di(cyclobutyl)amino]-3-[3-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 90802376
7,16-bis(2-methoxyphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 11016587
5-chloro-N-[(2R)-2-(2,2-difluoroethylcarbamoylamino)-3-[3-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 90763906
5-chloro-N-[(2R)-3-[3-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)anilino]-2-(2,2-dimethylpropylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 90931631
5-chloro-N-[(2S)-3-[3-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)anilino]-2-(ethylcarbamoylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 90947174
5-chloro-N-[(2S)-2-[2,2-difluoroethyl(ethyl)amino]-3-[3-(difluoromethoxy)-4-(3-oxomorpholin-4-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 91484024

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-(difluoromethoxy)phenyl]morpholin-3-one?
The IUPAC name of 4-[4-amino-2-(difluoromethoxy)phenyl]morpholin-3-one (CID 141122127) is 4-[4-amino-2-(difluoromethoxy)phenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-amino-2-(difluoromethoxy)phenyl]morpholin-3-one?
The canonical SMILES for 4-[4-amino-2-(difluoromethoxy)phenyl]morpholin-3-one is Nc1ccc(N2CCOCC2=O)c(OC(F)F)c1.
What is the InChIKey of 4-[4-amino-2-(difluoromethoxy)phenyl]morpholin-3-one?
The InChIKey is QPBQQDMSVWNAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3/c12-11(13)18-9-5-7(14)1-2-8(9)15-3-4-17-6-10(15)16/h1-2,5,11H,3-4,6,14H2.
What are the key properties of 4-[4-amino-2-(difluoromethoxy)phenyl]morpholin-3-one?
4-[4-amino-2-(difluoromethoxy)phenyl]morpholin-3-one has a molecular weight of 258.22 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-2-(difluoromethoxy)phenyl]morpholin-3-one is sourced from PubChem (CID 141122127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).