(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine

C8H15F2NO — CID 129297596

IUPAC(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@H]1CCCN1CC(F)F
InChIInChI=1S/C8H15F2NO/c1-12-6-7-3-2-4-11(7)5-8(9)10/h7-8H,2-6H2,1H3/t7-/m1/s1
InChIKeyOQBUECMAMCREOE-SSDOTTSWSA-N
MW179.21 g/mol
LogP1.36
Rot. Bonds4

About (2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine

(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine (PubChem CID 129297596) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is (2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine
PubChem CID129297596
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@H]1CCCN1CC(F)F
InChIInChI=1S/C8H15F2NO/c1-12-6-7-3-2-4-11(7)5-8(9)10/h7-8H,2-6H2,1H3/t7-/m1/s1
InChIKeyOQBUECMAMCREOE-SSDOTTSWSA-N
XLogP1.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bismethoxymethyl pyrrolidine
CID 22475505
(2S)-2-(methoxymethyl)-1-prop-2-ynylpyrrolidine
CID 57110961
(2R)-2-(methoxymethyl)-1-methylpyrrolidine
CID 57512644
(2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 59028649
[(2S)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol
CID 60002546
(2S,4S)-4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine
CID 68087112
[(2R)-4,4-difluoro-1-methylpyrrolidin-2-yl]methanol
CID 72207988
[(2R)-4,4-Difluoro-1-methyl-pyrrolidin-2-yl]methanol
CID 72619538
2-(Ethoxymethyl)-4-fluoro-1-methylpyrrolidine
CID 76646808
4-Fluoro-2-(methoxymethyl)-1-methylpyrrolidine
CID 76646851
(2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 89317886
(2R,4S)-4-(difluoromethoxy)-1,2-dimethylpyrrolidine
CID 89595707

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine (CID 129297596) is (2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine is COC[C@H]1CCCN1CC(F)F.
What is the InChIKey of (2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine?
The InChIKey is OQBUECMAMCREOE-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-12-6-7-3-2-4-11(7)5-8(9)10/h7-8H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of (2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine?
(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine has a molecular weight of 179.21 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 129297596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).