N-[4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-yl]formamide

C13H19FN2O2 — CID 89073996

IUPACN-[4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-yl]formamide
SMILESCC1CN(C2C=CC(NC=O)=CC2)C(F)C(C)O1
InChIInChI=1S/C13H19FN2O2/c1-9-7-16(13(14)10(2)18-9)12-5-3-11(4-6-12)15-8-17/h3-5,8-10,12-13H,6-7H2,1-2H3,(H,15,17)
InChIKeyDBIYMINMSVJOHY-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.35
Rot. Bonds3

About N-[4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-yl]formamide

N-[4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-yl]formamide (PubChem CID 89073996) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is N-[4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-yl]formamide.

Molecular Properties

Compound NameN-[4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-yl]formamide
PubChem CID89073996
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC NameN-[4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-yl]formamide
SMILESCC1CN(C2C=CC(NC=O)=CC2)C(F)C(C)O1
InChIInChI=1S/C13H19FN2O2/c1-9-7-16(13(14)10(2)18-9)12-5-3-11(4-6-12)15-8-17/h3-5,8-10,12-13H,6-7H2,1-2H3,(H,15,17)
InChIKeyDBIYMINMSVJOHY-UHFFFAOYSA-N
XLogP1.35
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-yl]formamide?
The IUPAC name of N-[4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-yl]formamide (CID 89073996) is N-[4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-yl]formamide.
What is the SMILES notation for N-[4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-yl]formamide?
The canonical SMILES for N-[4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-yl]formamide is CC1CN(C2C=CC(NC=O)=CC2)C(F)C(C)O1.
What is the InChIKey of N-[4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-yl]formamide?
The InChIKey is DBIYMINMSVJOHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-9-7-16(13(14)10(2)18-9)12-5-3-11(4-6-12)15-8-17/h3-5,8-10,12-13H,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-[4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-yl]formamide?
N-[4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-yl]formamide has a molecular weight of 254.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-1,5-dien-1-yl]formamide is sourced from PubChem (CID 89073996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).