1-(2,2-Difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

C11H21F2NO — CID 146652775

IUPAC1-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCC(C)(C)OCC1CCCN1CC(F)F
InChIInChI=1S/C11H21F2NO/c1-11(2,3)15-8-9-5-4-6-14(9)7-10(12)13/h9-10H,4-8H2,1-3H3
InChIKeyVKTDUFDNNHRMRU-UHFFFAOYSA-N
MW221.29 g/mol
LogP2.50
Rot. Bonds5

About 1-(2,2-Difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

1-(2,2-Difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (PubChem CID 146652775) has the molecular formula C11H21F2NO and a molecular weight of 221.29 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name1-(2,2-Difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
PubChem CID146652775
Molecular FormulaC11H21F2NO
Molecular Weight221.29 g/mol
Exact Mass221.16
IUPAC Name1-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCC(C)(C)OCC1CCCN1CC(F)F
InChIInChI=1S/C11H21F2NO/c1-11(2,3)15-8-9-5-4-6-14(9)7-10(12)13/h9-10H,4-8H2,1-3H3
InChIKeyVKTDUFDNNHRMRU-UHFFFAOYSA-N
XLogP2.50
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity192

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 59028649
tert-butyl (2S)-2-(1,1-difluoropropoxymethyl)pyrrolidine-1-carboxylate
CID 70803116
2-(Ethoxymethyl)-4-fluoro-1-methylpyrrolidine
CID 76646808
(2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 89317886
tert-butyl (2S)-2-(1,1-difluoroethoxymethyl)pyrrolidine-1-carboxylate
CID 90124937
4,4-Difluoro-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 129134151
(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine
CID 129297596
(2R)-1-(difluoromethyl)-2-(methoxymethyl)pyrrolidine
CID 129297597
2-(Difluoromethoxymethyl)-1-ethylpyrrolidine
CID 130225831
2-(Methoxymethyl)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 130399588
1-(2-Fluoroethyl)-2-(methoxymethyl)pyrrolidine
CID 131202671
2-(Difluoromethoxymethyl)-1-(2,2-dimethylpropyl)pyrrolidine
CID 137419191

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-Difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The IUPAC name of 1-(2,2-Difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (CID 146652775) is 1-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for 1-(2,2-Difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The canonical SMILES for 1-(2,2-Difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is CC(C)(C)OCC1CCCN1CC(F)F.
What is the InChIKey of 1-(2,2-Difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The InChIKey is VKTDUFDNNHRMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO/c1-11(2,3)15-8-9-5-4-6-14(9)7-10(12)13/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-(2,2-Difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
1-(2,2-Difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine has a molecular weight of 221.29 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-Difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 146652775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).