(3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile

C12H13FN2O — CID 129371054

IUPAC(3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile
SMILESN#C[C@@H]1COCCN1Cc1ccccc1F
InChIInChI=1S/C12H13FN2O/c13-12-4-2-1-3-10(12)8-15-5-6-16-9-11(15)7-14/h1-4,11H,5-6,8-9H2/t11-/m1/s1
InChIKeyRSXGRSUEHUCAJB-LLVKDONJSA-N
MW220.25 g/mol
LogP1.55
Rot. Bonds2

About (3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile

(3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile (PubChem CID 129371054) has the molecular formula C12H13FN2O and a molecular weight of 220.25 g/mol. Its IUPAC name is (3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile.

Molecular Properties

Compound Name(3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile
PubChem CID129371054
Molecular FormulaC12H13FN2O
Molecular Weight220.25 g/mol
Exact Mass220.10
IUPAC Name(3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile
SMILESN#C[C@@H]1COCCN1Cc1ccccc1F
InChIInChI=1S/C12H13FN2O/c13-12-4-2-1-3-10(12)8-15-5-6-16-9-11(15)7-14/h1-4,11H,5-6,8-9H2/t11-/m1/s1
InChIKeyRSXGRSUEHUCAJB-LLVKDONJSA-N
XLogP1.55
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile 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 (3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile?
The IUPAC name of (3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile (CID 129371054) is (3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile.
What is the SMILES notation for (3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile?
The canonical SMILES for (3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile is N#C[C@@H]1COCCN1Cc1ccccc1F.
What is the InChIKey of (3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile?
The InChIKey is RSXGRSUEHUCAJB-LLVKDONJSA-N. The full InChI is InChI=1S/C12H13FN2O/c13-12-4-2-1-3-10(12)8-15-5-6-16-9-11(15)7-14/h1-4,11H,5-6,8-9H2/t11-/m1/s1.
What are the key properties of (3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile?
(3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile has a molecular weight of 220.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile is sourced from PubChem (CID 129371054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).