5-(difluoromethoxymethyl)-2-methyl-4-(2-phenylethyl)morpholine-3-carbaldehyde

C16H21F2NO3 — CID 174784337

IUPAC5-(difluoromethoxymethyl)-2-methyl-4-(2-phenylethyl)morpholine-3-carbaldehyde
SMILESCC1OCC(COC(F)F)N(CCc2ccccc2)C1C=O
InChIInChI=1S/C16H21F2NO3/c1-12-15(9-20)19(8-7-13-5-3-2-4-6-13)14(10-21-12)11-22-16(17)18/h2-6,9,12,14-16H,7-8,10-11H2,1H3
InChIKeyFNFAVRKVXDCHCC-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.13
Rot. Bonds7

About 5-(difluoromethoxymethyl)-2-methyl-4-(2-phenylethyl)morpholine-3-carbaldehyde

5-(difluoromethoxymethyl)-2-methyl-4-(2-phenylethyl)morpholine-3-carbaldehyde (PubChem CID 174784337) has the molecular formula C16H21F2NO3 and a molecular weight of 313.34 g/mol. Its IUPAC name is 5-(difluoromethoxymethyl)-2-methyl-4-(2-phenylethyl)morpholine-3-carbaldehyde.

Molecular Properties

Compound Name5-(difluoromethoxymethyl)-2-methyl-4-(2-phenylethyl)morpholine-3-carbaldehyde
PubChem CID174784337
Molecular FormulaC16H21F2NO3
Molecular Weight313.34 g/mol
Exact Mass313.15
IUPAC Name5-(difluoromethoxymethyl)-2-methyl-4-(2-phenylethyl)morpholine-3-carbaldehyde
SMILESCC1OCC(COC(F)F)N(CCc2ccccc2)C1C=O
InChIInChI=1S/C16H21F2NO3/c1-12-15(9-20)19(8-7-13-5-3-2-4-6-13)14(10-21-12)11-22-16(17)18/h2-6,9,12,14-16H,7-8,10-11H2,1H3
InChIKeyFNFAVRKVXDCHCC-UHFFFAOYSA-N
XLogP2.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.13
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 5-(difluoromethoxymethyl)-2-methyl-4-(2-phenylethyl)morpholine-3-carbaldehyde?
The IUPAC name of 5-(difluoromethoxymethyl)-2-methyl-4-(2-phenylethyl)morpholine-3-carbaldehyde (CID 174784337) is 5-(difluoromethoxymethyl)-2-methyl-4-(2-phenylethyl)morpholine-3-carbaldehyde.
What is the SMILES notation for 5-(difluoromethoxymethyl)-2-methyl-4-(2-phenylethyl)morpholine-3-carbaldehyde?
The canonical SMILES for 5-(difluoromethoxymethyl)-2-methyl-4-(2-phenylethyl)morpholine-3-carbaldehyde is CC1OCC(COC(F)F)N(CCc2ccccc2)C1C=O.
What is the InChIKey of 5-(difluoromethoxymethyl)-2-methyl-4-(2-phenylethyl)morpholine-3-carbaldehyde?
The InChIKey is FNFAVRKVXDCHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO3/c1-12-15(9-20)19(8-7-13-5-3-2-4-6-13)14(10-21-12)11-22-16(17)18/h2-6,9,12,14-16H,7-8,10-11H2,1H3.
What are the key properties of 5-(difluoromethoxymethyl)-2-methyl-4-(2-phenylethyl)morpholine-3-carbaldehyde?
5-(difluoromethoxymethyl)-2-methyl-4-(2-phenylethyl)morpholine-3-carbaldehyde has a molecular weight of 313.34 g/mol, XLogP of 2.13, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxymethyl)-2-methyl-4-(2-phenylethyl)morpholine-3-carbaldehyde is sourced from PubChem (CID 174784337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).