4-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]morpholine

C11H19F2NO2 — CID 170601886

IUPAC4-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]morpholine
SMILESCCOCC1(CN2CCOCC2)CC1(F)F
InChIInChI=1S/C11H19F2NO2/c1-2-15-9-10(7-11(10,12)13)8-14-3-5-16-6-4-14/h2-9H2,1H3
InChIKeyBFQYWOCHMRAVLG-UHFFFAOYSA-N
MW235.27 g/mol
LogP1.38
Rot. Bonds5

About 4-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]morpholine

4-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]morpholine (PubChem CID 170601886) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 4-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]morpholine
PubChem CID170601886
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name4-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]morpholine
SMILESCCOCC1(CN2CCOCC2)CC1(F)F
InChIInChI=1S/C11H19F2NO2/c1-2-15-9-10(7-11(10,12)13)8-14-3-5-16-6-4-14/h2-9H2,1H3
InChIKeyBFQYWOCHMRAVLG-UHFFFAOYSA-N
XLogP1.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(1,1-Difluoro-2,2-dimethylpropoxy)ethyl]morpholine
CID 58044574
4-[4-(2,2-Difluoropropoxy)butyl]morpholine
CID 58341589
4-[1,2-Difluoro-3-(3,3,4,5,5,5-hexafluoropentan-2-yloxy)-2-(trifluoromethyl)butyl]morpholine
CID 130418403
4-(2,2-Difluoro-3,3-dimethylbutyl)morpholine
CID 137390792
4-[(2,2-Difluoro-1-methylcyclopropyl)methyl]morpholine
CID 166141734
4-(2,2-Difluoro-3-methylbutyl)morpholine
CID 166778796
(2R)-2-fluoro-4-[[1-(1-iodoethoxymethyl)cyclopropyl]methyl]morpholine
CID 169659153
1-[[1-(Propan-2-yloxymethyl)cyclopropyl]methyl]-4-(trifluoromethoxy)piperidine
CID 170343535
4-[[2,2-Difluoro-1-(propan-2-yloxymethyl)cyclopropyl]methyl]morpholine
CID 170412248
1-[[1-(Ethoxymethyl)cyclopropyl]methyl]-4,4-difluoropiperidine
CID 170601860
(3R,4S)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926066
(3R,4R)-4-fluoro-3-methoxy-1-[[1-(propan-2-yloxymethyl)cyclopropyl]methyl]piperidine
CID 170926217

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]morpholine?
The IUPAC name of 4-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]morpholine (CID 170601886) is 4-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]morpholine.
What is the SMILES notation for 4-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]morpholine?
The canonical SMILES for 4-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]morpholine is CCOCC1(CN2CCOCC2)CC1(F)F.
What is the InChIKey of 4-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]morpholine?
The InChIKey is BFQYWOCHMRAVLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-2-15-9-10(7-11(10,12)13)8-14-3-5-16-6-4-14/h2-9H2,1H3.
What are the key properties of 4-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]morpholine?
4-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]morpholine has a molecular weight of 235.27 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(ethoxymethyl)-2,2-difluorocyclopropyl]methyl]morpholine is sourced from PubChem (CID 170601886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).