5-[(4-chlorophenyl)methyl]-2-(difluoromethoxymethyl)morpholine

C13H16ClF2NO2 — CID 155576994

IUPAC5-[(4-chlorophenyl)methyl]-2-(difluoromethoxymethyl)morpholine
SMILESFC(F)OCC1CNC(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C13H16ClF2NO2/c14-10-3-1-9(2-4-10)5-11-7-18-12(6-17-11)8-19-13(15)16/h1-4,11-13,17H,5-8H2
InChIKeyGCXNGQSEDVWACY-UHFFFAOYSA-N
MW291.73 g/mol
LogP2.48
Rot. Bonds5

About 5-[(4-chlorophenyl)methyl]-2-(difluoromethoxymethyl)morpholine

5-[(4-chlorophenyl)methyl]-2-(difluoromethoxymethyl)morpholine (PubChem CID 155576994) has the molecular formula C13H16ClF2NO2 and a molecular weight of 291.73 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methyl]-2-(difluoromethoxymethyl)morpholine.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methyl]-2-(difluoromethoxymethyl)morpholine
PubChem CID155576994
Molecular FormulaC13H16ClF2NO2
Molecular Weight291.73 g/mol
Exact Mass291.08
IUPAC Name5-[(4-chlorophenyl)methyl]-2-(difluoromethoxymethyl)morpholine
SMILESFC(F)OCC1CNC(Cc2ccc(Cl)cc2)CO1
InChIInChI=1S/C13H16ClF2NO2/c14-10-3-1-9(2-4-10)5-11-7-18-12(6-17-11)8-19-13(15)16/h1-4,11-13,17H,5-8H2
InChIKeyGCXNGQSEDVWACY-UHFFFAOYSA-N
XLogP2.48
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methyl]-2-(difluoromethoxymethyl)morpholine?
The IUPAC name of 5-[(4-chlorophenyl)methyl]-2-(difluoromethoxymethyl)morpholine (CID 155576994) is 5-[(4-chlorophenyl)methyl]-2-(difluoromethoxymethyl)morpholine.
What is the SMILES notation for 5-[(4-chlorophenyl)methyl]-2-(difluoromethoxymethyl)morpholine?
The canonical SMILES for 5-[(4-chlorophenyl)methyl]-2-(difluoromethoxymethyl)morpholine is FC(F)OCC1CNC(Cc2ccc(Cl)cc2)CO1.
What is the InChIKey of 5-[(4-chlorophenyl)methyl]-2-(difluoromethoxymethyl)morpholine?
The InChIKey is GCXNGQSEDVWACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF2NO2/c14-10-3-1-9(2-4-10)5-11-7-18-12(6-17-11)8-19-13(15)16/h1-4,11-13,17H,5-8H2.
What are the key properties of 5-[(4-chlorophenyl)methyl]-2-(difluoromethoxymethyl)morpholine?
5-[(4-chlorophenyl)methyl]-2-(difluoromethoxymethyl)morpholine has a molecular weight of 291.73 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methyl]-2-(difluoromethoxymethyl)morpholine is sourced from PubChem (CID 155576994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).