4-[difluoro(methoxy)methyl]morpholine

C6H11F2NO2 — CID 18721521

IUPAC4-[difluoro(methoxy)methyl]morpholine
SMILESCOC(F)(F)N1CCOCC1
InChIInChI=1S/C6H11F2NO2/c1-10-6(7,8)9-2-4-11-5-3-9/h2-5H2,1H3
InChIKeySERJSHMPQASXPF-UHFFFAOYSA-N
MW167.16 g/mol
LogP0.52
Rot. Bonds2

About 4-[difluoro(methoxy)methyl]morpholine

4-[difluoro(methoxy)methyl]morpholine (PubChem CID 18721521) has the molecular formula C6H11F2NO2 and a molecular weight of 167.16 g/mol. Its IUPAC name is 4-[difluoro(methoxy)methyl]morpholine.

Molecular Properties

Compound Name4-[difluoro(methoxy)methyl]morpholine
PubChem CID18721521
Molecular FormulaC6H11F2NO2
Molecular Weight167.16 g/mol
Exact Mass167.08
IUPAC Name4-[difluoro(methoxy)methyl]morpholine
SMILESCOC(F)(F)N1CCOCC1
InChIInChI=1S/C6H11F2NO2/c1-10-6(7,8)9-2-4-11-5-3-9/h2-5H2,1H3
InChIKeySERJSHMPQASXPF-UHFFFAOYSA-N
XLogP0.52
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methylmorpholine
CID 7972
Ethylmorpholine
CID 7525
4-(2,2,3,3-Tetrafluoropropyl)morpholine
CID 12554036
Morpholine, 4-(2-methoxyethyl)-
CID 82460
4,4-Dimethylmorpholin-4-ium
CID 102257
1-(2-Ethoxyethyl)-4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazine
CID 53590645
4-Methyl-4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-4-ium
CID 101731127
N-(Methoxymethyl)morpholine
CID 101490
4-(Difluoromethyl)morpholine
CID 10329349
4-(2-Fluoroethyl)morpholine
CID 12117567
4-(Fluoromethyl)morpholine
CID 14646934
4-(1,1,2,2,2-Pentafluoroethyl)morpholine
CID 52991953

Frequently Asked Questions

What is the IUPAC name of 4-[difluoro(methoxy)methyl]morpholine?
The IUPAC name of 4-[difluoro(methoxy)methyl]morpholine (CID 18721521) is 4-[difluoro(methoxy)methyl]morpholine.
What is the SMILES notation for 4-[difluoro(methoxy)methyl]morpholine?
The canonical SMILES for 4-[difluoro(methoxy)methyl]morpholine is COC(F)(F)N1CCOCC1.
What is the InChIKey of 4-[difluoro(methoxy)methyl]morpholine?
The InChIKey is SERJSHMPQASXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2/c1-10-6(7,8)9-2-4-11-5-3-9/h2-5H2,1H3.
What are the key properties of 4-[difluoro(methoxy)methyl]morpholine?
4-[difluoro(methoxy)methyl]morpholine has a molecular weight of 167.16 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[difluoro(methoxy)methyl]morpholine is sourced from PubChem (CID 18721521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).