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

C11H23F2NO — CID 145338634

IUPAC(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane
SMILESCCC.COC[C@H]1CCCN1CC(F)F
InChIInChI=1S/C8H15F2NO.C3H8/c1-12-6-7-3-2-4-11(7)5-8(9)10;1-3-2/h7-8H,2-6H2,1H3;3H2,1-2H3/t7-;/m1./s1
InChIKeyWHRHWDQAKZAWEB-OGFXRTJISA-N
MW223.31 g/mol
LogP2.78
Rot. Bonds4

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

(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane (PubChem CID 145338634) has the molecular formula C11H23F2NO and a molecular weight of 223.31 g/mol. Its IUPAC name is (2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane.

Molecular Properties

Compound Name(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane
PubChem CID145338634
Molecular FormulaC11H23F2NO
Molecular Weight223.31 g/mol
Exact Mass223.17
IUPAC Name(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane
SMILESCCC.COC[C@H]1CCCN1CC(F)F
InChIInChI=1S/C8H15F2NO.C3H8/c1-12-6-7-3-2-4-11(7)5-8(9)10;1-3-2/h7-8H,2-6H2,1H3;3H2,1-2H3/t7-;/m1./s1
InChIKeyWHRHWDQAKZAWEB-OGFXRTJISA-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

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Related Compounds

(2R)-1-ethyl-2-(methoxymethyl)pyrrolidine
CID 59678139
(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine
CID 58279608
(2S)-1-(cyclopropylmethyl)-2-(methoxymethyl)pyrrolidine
CID 142484052
(2R)-2-(methoxymethyl)-1-(methylsulfanylmethyl)pyrrolidine
CID 134386635
(2S)-1-(2,2-dimethylbutyl)-2-(methoxymethyl)pyrrolidine
CID 138459557
2-[1-(2,2-difluoroethyl)pyrrolidin-2-yl]acetaldehyde
CID 84655882
2-ethyl-1-(2-fluoropropyl)pyrrolidine
CID 177053751
1-(3-bromopropyl)-2-(methoxymethyl)pyrrolidine
CID 165463199
(1S)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-1-(4-methoxyphenyl)ethanol
CID 10801648
1-ethyl-2-(methoxymethyl)azetidine
CID 123419729
1-(2,2-difluoroethyl)-2-ethylazetidine;methanethiol
CID 163270154
1-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-3-methoxypropan-2-ol
CID 63978859

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane?
The IUPAC name of (2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane (CID 145338634) is (2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane.
What is the SMILES notation for (2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane?
The canonical SMILES for (2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane is CCC.COC[C@H]1CCCN1CC(F)F.
What is the InChIKey of (2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane?
The InChIKey is WHRHWDQAKZAWEB-OGFXRTJISA-N. The full InChI is InChI=1S/C8H15F2NO.C3H8/c1-12-6-7-3-2-4-11(7)5-8(9)10;1-3-2/h7-8H,2-6H2,1H3;3H2,1-2H3/t7-;/m1./s1.
What are the key properties of (2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane?
(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane 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 (2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine;propane is sourced from PubChem (CID 145338634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).