6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane

C11H21F2NO — CID 164878790

IUPAC6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane
SMILESCC.COCC12CCCN1CC(F)(F)C2
InChIInChI=1S/C9H15F2NO.C2H6/c1-13-7-8-3-2-4-12(8)6-9(10,11)5-8;1-2/h2-7H2,1H3;1-2H3
InChIKeyWXFGYEFGOVPGNM-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.53
Rot. Bonds2

About 6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane

6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane (PubChem CID 164878790) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane.

Molecular Properties

Compound Name6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane
PubChem CID164878790
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane
SMILESCC.COCC12CCCN1CC(F)(F)C2
InChIInChI=1S/C9H15F2NO.C2H6/c1-13-7-8-3-2-4-12(8)6-9(10,11)5-8;1-2/h2-7H2,1H3;1-2H3
InChIKeyWXFGYEFGOVPGNM-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-Difluoro-hexahydro-1H-pyrrolizin-7a-yl)methanol
CID 118109123
2-(Methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 118615691
1-Ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 118615712
2-(2,2-Difluoropropyl)-2-(methoxymethyl)-1-propan-2-ylpyrrolidine
CID 130399562
2-(Methoxymethyl)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 130399588
(2-Fluoro-2-methyltetrahydro-1H-pyrrolizin-7a(5H)-yl)methanol
CID 137419734
(6S,7aS)-6-ethyl-6-fluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 141470022
(7S,7aS)-7-ethyl-6,6-difluoro-3,3-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazole
CID 141470030
(2,6-Difluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanol
CID 156117336
3-(Fluoromethyl)-8-(methoxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 156125538
6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine
CID 156206155
(6,6-difluoro-2,3,5,7-tetrahydro-1H-pyrrolizin-8-yl)methyl hypoiodite
CID 156206275

Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane?
The IUPAC name of 6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane (CID 164878790) is 6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane.
What is the SMILES notation for 6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane?
The canonical SMILES for 6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane is CC.COCC12CCCN1CC(F)(F)C2.
What is the InChIKey of 6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane?
The InChIKey is WXFGYEFGOVPGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO.C2H6/c1-13-7-8-3-2-4-12(8)6-9(10,11)5-8;1-2/h2-7H2,1H3;1-2H3.
What are the key properties of 6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane?
6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane has a molecular weight of 221.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-8-(methoxymethyl)-2,3,5,7-tetrahydro-1H-pyrrolizine;ethane is sourced from PubChem (CID 164878790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).