4-[(5R)-5-ethylmorpholin-2-yl]-2-fluoro-6-methoxybenzonitrile

C14H17FN2O2 — CID 130439228

IUPAC4-[(5R)-5-ethylmorpholin-2-yl]-2-fluoro-6-methoxybenzonitrile
SMILESCC[C@@H]1COC(c2cc(F)c(C#N)c(OC)c2)CN1
InChIInChI=1S/C14H17FN2O2/c1-3-10-8-19-14(7-17-10)9-4-12(15)11(6-16)13(5-9)18-2/h4-5,10,14,17H,3,7-8H2,1-2H3/t10-,14?/m1/s1
InChIKeyAUDIKUYIGULDIX-IAPIXIRKSA-N
MW264.30 g/mol
LogP2.15
Rot. Bonds3

About 4-[(5R)-5-ethylmorpholin-2-yl]-2-fluoro-6-methoxybenzonitrile

4-[(5R)-5-ethylmorpholin-2-yl]-2-fluoro-6-methoxybenzonitrile (PubChem CID 130439228) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-[(5R)-5-ethylmorpholin-2-yl]-2-fluoro-6-methoxybenzonitrile.

Molecular Properties

Compound Name4-[(5R)-5-ethylmorpholin-2-yl]-2-fluoro-6-methoxybenzonitrile
PubChem CID130439228
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name4-[(5R)-5-ethylmorpholin-2-yl]-2-fluoro-6-methoxybenzonitrile
SMILESCC[C@@H]1COC(c2cc(F)c(C#N)c(OC)c2)CN1
InChIInChI=1S/C14H17FN2O2/c1-3-10-8-19-14(7-17-10)9-4-12(15)11(6-16)13(5-9)18-2/h4-5,10,14,17H,3,7-8H2,1-2H3/t10-,14?/m1/s1
InChIKeyAUDIKUYIGULDIX-IAPIXIRKSA-N
XLogP2.15
TPSA54.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[(5R)-5-ethylmorpholin-2-yl]-2-fluoro-6-methoxybenzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(5R)-5-ethylmorpholin-2-yl]-2-fluoro-6-methoxybenzonitrile?
The IUPAC name of 4-[(5R)-5-ethylmorpholin-2-yl]-2-fluoro-6-methoxybenzonitrile (CID 130439228) is 4-[(5R)-5-ethylmorpholin-2-yl]-2-fluoro-6-methoxybenzonitrile.
What is the SMILES notation for 4-[(5R)-5-ethylmorpholin-2-yl]-2-fluoro-6-methoxybenzonitrile?
The canonical SMILES for 4-[(5R)-5-ethylmorpholin-2-yl]-2-fluoro-6-methoxybenzonitrile is CC[C@@H]1COC(c2cc(F)c(C#N)c(OC)c2)CN1.
What is the InChIKey of 4-[(5R)-5-ethylmorpholin-2-yl]-2-fluoro-6-methoxybenzonitrile?
The InChIKey is AUDIKUYIGULDIX-IAPIXIRKSA-N. The full InChI is InChI=1S/C14H17FN2O2/c1-3-10-8-19-14(7-17-10)9-4-12(15)11(6-16)13(5-9)18-2/h4-5,10,14,17H,3,7-8H2,1-2H3/t10-,14?/m1/s1.
What are the key properties of 4-[(5R)-5-ethylmorpholin-2-yl]-2-fluoro-6-methoxybenzonitrile?
4-[(5R)-5-ethylmorpholin-2-yl]-2-fluoro-6-methoxybenzonitrile has a molecular weight of 264.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5R)-5-ethylmorpholin-2-yl]-2-fluoro-6-methoxybenzonitrile is sourced from PubChem (CID 130439228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).