3-(2,2-difluoroethoxy)-1-morpholin-4-ylpropan-1-imine

C9H16F2N2O2 — CID 103150910

IUPAC3-(2,2-difluoroethoxy)-1-morpholin-4-ylpropan-1-imine
SMILES[H]/N=C(\CCOCC(F)F)N1CCOCC1
InChIInChI=1S/C9H16F2N2O2/c10-8(11)7-15-4-1-9(12)13-2-5-14-6-3-13/h8,12H,1-7H2/b12-9+
InChIKeyHBIAEUKEXBAHHZ-FMIVXFBMSA-N
MW222.23 g/mol
LogP0.97
Rot. Bonds5

About 3-(2,2-difluoroethoxy)-1-morpholin-4-ylpropan-1-imine

3-(2,2-difluoroethoxy)-1-morpholin-4-ylpropan-1-imine (PubChem CID 103150910) has the molecular formula C9H16F2N2O2 and a molecular weight of 222.23 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-morpholin-4-ylpropan-1-imine.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-morpholin-4-ylpropan-1-imine
PubChem CID103150910
Molecular FormulaC9H16F2N2O2
Molecular Weight222.23 g/mol
Exact Mass222.12
IUPAC Name3-(2,2-difluoroethoxy)-1-morpholin-4-ylpropan-1-imine
SMILES[H]/N=C(\CCOCC(F)F)N1CCOCC1
InChIInChI=1S/C9H16F2N2O2/c10-8(11)7-15-4-1-9(12)13-2-5-14-6-3-13/h8,12H,1-7H2/b12-9+
InChIKeyHBIAEUKEXBAHHZ-FMIVXFBMSA-N
XLogP0.97
TPSA45.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.23
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-difluoroethoxy)-1-pyrrolidin-1-ylpropan-1-imine
CID 103150906
1,3-dimorpholin-4-ylpropane-1,3-diimine
CID 123506612
2-(azetidin-1-yl)-1-morpholin-4-ylethanimine
CID 130706300
4-(2,2-difluoroethoxy)butanimidamide
CID 82004482
Morpholine-4-carboselenoamide
CID 12008371
3-(2,2-difluoroethoxy)propanoyl chloride
CID 103208649
1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine;hydrochloride
CID 3088325
N-(morpholine-4-carboximidoyl)butanamide
CID 154044270
2-methyl-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]propanimidamide
CID 79152526
N-amino-3-(2,2-difluoroethoxy)-N'-methylpropanimidamide
CID 103211890
methyl morpholine-4-carboximidothioate
CID 8006837
ethane;2-methyl-1-morpholin-4-ylprop-2-en-1-imine
CID 163273415

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-morpholin-4-ylpropan-1-imine?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-morpholin-4-ylpropan-1-imine (CID 103150910) is 3-(2,2-difluoroethoxy)-1-morpholin-4-ylpropan-1-imine.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-morpholin-4-ylpropan-1-imine?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-morpholin-4-ylpropan-1-imine is [H]/N=C(\CCOCC(F)F)N1CCOCC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-morpholin-4-ylpropan-1-imine?
The InChIKey is HBIAEUKEXBAHHZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C9H16F2N2O2/c10-8(11)7-15-4-1-9(12)13-2-5-14-6-3-13/h8,12H,1-7H2/b12-9+.
What are the key properties of 3-(2,2-difluoroethoxy)-1-morpholin-4-ylpropan-1-imine?
3-(2,2-difluoroethoxy)-1-morpholin-4-ylpropan-1-imine has a molecular weight of 222.23 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-morpholin-4-ylpropan-1-imine is sourced from PubChem (CID 103150910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).