4-(4-fluoro-2-nitrophenyl)morpholine-2-carbonitrile

C11H10FN3O3 — CID 78946425

IUPAC4-(4-fluoro-2-nitrophenyl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2ccc(F)cc2[N+](=O)[O-])CCO1
InChIInChI=1S/C11H10FN3O3/c12-8-1-2-10(11(5-8)15(16)17)14-3-4-18-9(6-13)7-14/h1-2,5,9H,3-4,7H2
InChIKeyTZTRVOBQCOWBPD-UHFFFAOYSA-N
MW251.22 g/mol
LogP1.46
Rot. Bonds2

About 4-(4-fluoro-2-nitrophenyl)morpholine-2-carbonitrile

4-(4-fluoro-2-nitrophenyl)morpholine-2-carbonitrile (PubChem CID 78946425) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 4-(4-fluoro-2-nitrophenyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(4-fluoro-2-nitrophenyl)morpholine-2-carbonitrile
PubChem CID78946425
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name4-(4-fluoro-2-nitrophenyl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2ccc(F)cc2[N+](=O)[O-])CCO1
InChIInChI=1S/C11H10FN3O3/c12-8-1-2-10(11(5-8)15(16)17)14-3-4-18-9(6-13)7-14/h1-2,5,9H,3-4,7H2
InChIKeyTZTRVOBQCOWBPD-UHFFFAOYSA-N
XLogP1.46
TPSA79.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(1-hydroxyethyl)-2-nitrophenyl]morpholine-2-carbonitrile
CID 79674902
4-(5-chloro-2-nitrophenyl)morpholine-2-carbonitrile
CID 115469457
4-(2-amino-4-nitrophenyl)morpholine-2-carbonitrile
CID 79675221
3-(2-cyanomorpholin-4-yl)-4-nitrobenzoic acid
CID 82784039
4-[5-(hydroxymethyl)-2-nitrophenyl]morpholine-2-carbonitrile
CID 133437639
4-(3-fluoro-5-nitrophenyl)morpholine-2-carbonitrile
CID 80748458
4-(2-bromo-5-methyl-4-nitrophenyl)morpholine-2-carbonitrile
CID 103269477
4-[2-(difluoromethoxy)-4-nitrophenyl]morpholine-2-carbonitrile
CID 133467733
methyl 2-chloro-4-(2-cyanomorpholin-4-yl)-5-nitrobenzoate
CID 133388554
4-[3-(difluoromethoxy)-4-nitrophenyl]morpholine-2-carbonitrile
CID 133319969
1-(4-fluoro-2-nitrophenyl)azetidin-3-amine
CID 65249693
4-(5-methyl-4-nitro-2-pyridinyl)morpholine-2-carbonitrile
CID 83268548

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-2-nitrophenyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(4-fluoro-2-nitrophenyl)morpholine-2-carbonitrile (CID 78946425) is 4-(4-fluoro-2-nitrophenyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(4-fluoro-2-nitrophenyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(4-fluoro-2-nitrophenyl)morpholine-2-carbonitrile is N#CC1CN(c2ccc(F)cc2[N+](=O)[O-])CCO1.
What is the InChIKey of 4-(4-fluoro-2-nitrophenyl)morpholine-2-carbonitrile?
The InChIKey is TZTRVOBQCOWBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c12-8-1-2-10(11(5-8)15(16)17)14-3-4-18-9(6-13)7-14/h1-2,5,9H,3-4,7H2.
What are the key properties of 4-(4-fluoro-2-nitrophenyl)morpholine-2-carbonitrile?
4-(4-fluoro-2-nitrophenyl)morpholine-2-carbonitrile has a molecular weight of 251.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-2-nitrophenyl)morpholine-2-carbonitrile is sourced from PubChem (CID 78946425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).