4,4-difluoro-1-methyl-2-(propoxymethyl)pyrrolidine;ethane

C11H23F2NO — CID 176568094

IUPAC4,4-difluoro-1-methyl-2-(propoxymethyl)pyrrolidine;ethane
SMILESCC.CCCOCC1CC(F)(F)CN1C
InChIInChI=1S/C9H17F2NO.C2H6/c1-3-4-13-6-8-5-9(10,11)7-12(8)2;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyIPAKATCQOYIJPI-UHFFFAOYSA-N
MW223.31 g/mol
LogP2.78
Rot. Bonds4

About 4,4-difluoro-1-methyl-2-(propoxymethyl)pyrrolidine;ethane

4,4-difluoro-1-methyl-2-(propoxymethyl)pyrrolidine;ethane (PubChem CID 176568094) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is 4,4-difluoro-1-methyl-2-(propoxymethyl)pyrrolidine;ethane.

Molecular Properties

Compound Name4,4-difluoro-1-methyl-2-(propoxymethyl)pyrrolidine;ethane
PubChem CID176568094
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC Name4,4-difluoro-1-methyl-2-(propoxymethyl)pyrrolidine;ethane
SMILESCC.CCCOCC1CC(F)(F)CN1C
InChIInChI=1S/C9H17F2NO.C2H6/c1-3-4-13-6-8-5-9(10,11)7-12(8)2;1-2/h8H,3-7H2,1-2H3;1-2H3
InChIKeyIPAKATCQOYIJPI-UHFFFAOYSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4,4-difluoro-1-methylpyrrolidin-2-yl)methoxyphosphane
CID 164904665
2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-amine
CID 121204146
(4,4-difluoro-1-methylpyrrolidin-2-yl)methanol;tungsten
CID 170766869
2-(propoxymethyl)oxirane
CID 18406
2-[(2S)-2-(ethoxymethyl)-4,4-difluoropyrrolidin-1-yl]-N'-hydroxyethanimidamide
CID 129497782
2-[4,4-difluoro-2-(methoxymethyl)pyrrolidin-1-yl]ethanamine
CID 121204099
4,4-dimethyl-2-(propoxymethyl)cyclohexan-1-amine
CID 81014415
tert-butyl 2-[(2-ethoxy-2-oxoethoxy)methyl]-4,4-difluoropyrrolidine-1-carboxylate
CID 134533962
4,4-difluoro-2-(2-fluoropropan-2-yl)-1-methylpyrrolidine
CID 176557306
(5,5-difluoro-1-methylpiperidin-2-yl)methanamine
CID 55296928
ethane;propane;1-propoxypropane
CID 143757970
1-(2-ethoxyethyl)-2,2-difluoro-3-(2-propoxyethyl)imidazolidine
CID 139932659

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methyl-2-(propoxymethyl)pyrrolidine;ethane?
The IUPAC name of 4,4-difluoro-1-methyl-2-(propoxymethyl)pyrrolidine;ethane (CID 176568094) is 4,4-difluoro-1-methyl-2-(propoxymethyl)pyrrolidine;ethane.
What is the SMILES notation for 4,4-difluoro-1-methyl-2-(propoxymethyl)pyrrolidine;ethane?
The canonical SMILES for 4,4-difluoro-1-methyl-2-(propoxymethyl)pyrrolidine;ethane is CC.CCCOCC1CC(F)(F)CN1C.
What is the InChIKey of 4,4-difluoro-1-methyl-2-(propoxymethyl)pyrrolidine;ethane?
The InChIKey is IPAKATCQOYIJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO.C2H6/c1-3-4-13-6-8-5-9(10,11)7-12(8)2;1-2/h8H,3-7H2,1-2H3;1-2H3.
What are the key properties of 4,4-difluoro-1-methyl-2-(propoxymethyl)pyrrolidine;ethane?
4,4-difluoro-1-methyl-2-(propoxymethyl)pyrrolidine;ethane has a molecular weight of 223.31 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methyl-2-(propoxymethyl)pyrrolidine;ethane is sourced from PubChem (CID 176568094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).