4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile

C12H13FN4O2 — CID 79675907

IUPAC4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cccc(F)c2NN)CCO1
InChIInChI=1S/C12H13FN4O2/c13-10-3-1-2-9(11(10)16-15)12(18)17-4-5-19-8(6-14)7-17/h1-3,8,16H,4-5,7,15H2
InChIKeyJUZCWZZMUALLAB-UHFFFAOYSA-N
MW264.26 g/mol
LogP0.48
Rot. Bonds2

About 4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile

4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile (PubChem CID 79675907) has the molecular formula C12H13FN4O2 and a molecular weight of 264.26 g/mol. Its IUPAC name is 4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile
PubChem CID79675907
Molecular FormulaC12H13FN4O2
Molecular Weight264.26 g/mol
Exact Mass264.10
IUPAC Name4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)c2cccc(F)c2NN)CCO1
InChIInChI=1S/C12H13FN4O2/c13-10-3-1-2-9(11(10)16-15)12(18)17-4-5-19-8(6-14)7-17/h1-3,8,16H,4-5,7,15H2
InChIKeyJUZCWZZMUALLAB-UHFFFAOYSA-N
XLogP0.48
TPSA91.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-hydrazinyl-3-nitrobenzoyl)morpholine-2-carbonitrile
CID 115937240
(3-fluoro-2-hydrazinylphenyl)-(2-methyl-1,4-oxazepan-4-yl)methanone
CID 62968377
4-(2,3-dichlorobenzoyl)morpholine-2-carbonitrile
CID 78945716
4-[2-(methylamino)-3-nitrobenzoyl]morpholine-2-carbonitrile
CID 115936878
4-(4-hydrazinylpyridine-3-carbonyl)morpholine-2-carbonitrile
CID 81249144
4-(5-bromo-2-fluorobenzoyl)morpholine-2-carbonitrile
CID 78945835
4-(2-fluoro-4-methylbenzoyl)morpholine-2-carbonitrile
CID 71977681
(3,5-dimethylpiperidin-1-yl)-(3-fluoro-2-hydrazinylphenyl)methanone
CID 55100115
4-(2,4,5-trifluoro-3-hydroxybenzoyl)morpholine-2-carbonitrile
CID 79674344
4-(2-amino-3-nitrobenzoyl)morpholine-2-carbonitrile
CID 115678992
4-[2-(propan-2-ylamino)benzoyl]morpholine-2-carbonitrile
CID 79681452
4-(1H-indole-7-carbonyl)morpholine-2-carbonitrile
CID 79035947

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile (CID 79675907) is 4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)c2cccc(F)c2NN)CCO1.
What is the InChIKey of 4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile?
The InChIKey is JUZCWZZMUALLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O2/c13-10-3-1-2-9(11(10)16-15)12(18)17-4-5-19-8(6-14)7-17/h1-3,8,16H,4-5,7,15H2.
What are the key properties of 4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile?
4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile has a molecular weight of 264.26 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-2-hydrazinylbenzoyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79675907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).