4-(2,6-difluoro-4-formylphenyl)morpholine-2-carbonitrile

C12H10F2N2O2 — CID 79675060

IUPAC4-(2,6-difluoro-4-formylphenyl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2c(F)cc(C=O)cc2F)CCO1
InChIInChI=1S/C12H10F2N2O2/c13-10-3-8(7-17)4-11(14)12(10)16-1-2-18-9(5-15)6-16/h3-4,7,9H,1-2,6H2
InChIKeyWVWYBACYKRTFKP-UHFFFAOYSA-N
MW252.22 g/mol
LogP1.51
Rot. Bonds2

About 4-(2,6-difluoro-4-formylphenyl)morpholine-2-carbonitrile

4-(2,6-difluoro-4-formylphenyl)morpholine-2-carbonitrile (PubChem CID 79675060) has the molecular formula C12H10F2N2O2 and a molecular weight of 252.22 g/mol. Its IUPAC name is 4-(2,6-difluoro-4-formylphenyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,6-difluoro-4-formylphenyl)morpholine-2-carbonitrile
PubChem CID79675060
Molecular FormulaC12H10F2N2O2
Molecular Weight252.22 g/mol
Exact Mass252.07
IUPAC Name4-(2,6-difluoro-4-formylphenyl)morpholine-2-carbonitrile
SMILESN#CC1CN(c2c(F)cc(C=O)cc2F)CCO1
InChIInChI=1S/C12H10F2N2O2/c13-10-3-8(7-17)4-11(14)12(10)16-1-2-18-9(5-15)6-16/h3-4,7,9H,1-2,6H2
InChIKeyWVWYBACYKRTFKP-UHFFFAOYSA-N
XLogP1.51
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.22
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-4-formylphenyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2,6-difluoro-4-formylphenyl)morpholine-2-carbonitrile (CID 79675060) is 4-(2,6-difluoro-4-formylphenyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2,6-difluoro-4-formylphenyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2,6-difluoro-4-formylphenyl)morpholine-2-carbonitrile is N#CC1CN(c2c(F)cc(C=O)cc2F)CCO1.
What is the InChIKey of 4-(2,6-difluoro-4-formylphenyl)morpholine-2-carbonitrile?
The InChIKey is WVWYBACYKRTFKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2/c13-10-3-8(7-17)4-11(14)12(10)16-1-2-18-9(5-15)6-16/h3-4,7,9H,1-2,6H2.
What are the key properties of 4-(2,6-difluoro-4-formylphenyl)morpholine-2-carbonitrile?
4-(2,6-difluoro-4-formylphenyl)morpholine-2-carbonitrile has a molecular weight of 252.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-4-formylphenyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79675060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).