(2S)-4-(difluoromethoxymethyl)-N-methyl-2-propan-2-ylpyrrolidin-1-amine

C10H20F2N2O — CID 147558293

IUPAC(2S)-4-(difluoromethoxymethyl)-N-methyl-2-propan-2-ylpyrrolidin-1-amine
SMILESCNN1CC(COC(F)F)C[C@H]1C(C)C
InChIInChI=1S/C10H20F2N2O/c1-7(2)9-4-8(5-14(9)13-3)6-15-10(11)12/h7-10,13H,4-6H2,1-3H3/t8?,9-/m0/s1
InChIKeyFSCPSEUQYLDUBT-GKAPJAKFSA-N
MW222.28 g/mol
LogP1.71
Rot. Bonds5

About (2S)-4-(difluoromethoxymethyl)-N-methyl-2-propan-2-ylpyrrolidin-1-amine

(2S)-4-(difluoromethoxymethyl)-N-methyl-2-propan-2-ylpyrrolidin-1-amine (PubChem CID 147558293) has the molecular formula C10H20F2N2O and a molecular weight of 222.28 g/mol. Its IUPAC name is (2S)-4-(difluoromethoxymethyl)-N-methyl-2-propan-2-ylpyrrolidin-1-amine.

Molecular Properties

Compound Name(2S)-4-(difluoromethoxymethyl)-N-methyl-2-propan-2-ylpyrrolidin-1-amine
PubChem CID147558293
Molecular FormulaC10H20F2N2O
Molecular Weight222.28 g/mol
Exact Mass222.15
IUPAC Name(2S)-4-(difluoromethoxymethyl)-N-methyl-2-propan-2-ylpyrrolidin-1-amine
SMILESCNN1CC(COC(F)F)C[C@H]1C(C)C
InChIInChI=1S/C10H20F2N2O/c1-7(2)9-4-8(5-14(9)13-3)6-15-10(11)12/h7-10,13H,4-6H2,1-3H3/t8?,9-/m0/s1
InChIKeyFSCPSEUQYLDUBT-GKAPJAKFSA-N
XLogP1.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-4-(difluoromethoxymethyl)-1-methyl-2-propan-2-ylpyrrolidine
CID 146933740
(2S)-4-(difluoromethoxymethyl)-1,2-di(propan-2-yl)pyrrolidine
CID 59611153
3-(difluoromethoxymethyl)-1-propan-2-ylazetidine
CID 165149979
4-(difluoromethoxymethyl)-2-methoxycarbonylpyrrolidine-1-carboxylate
CID 154463093
2-(difluoromethoxymethyl)-1-ethyl-5-propan-2-ylpyrrolidine
CID 170771439
1-methyl-5-propan-2-ylpyrrolidin-3-amine
CID 83855177
N-methyl-3-(propan-2-yloxymethyl)pyrrolidin-1-amine
CID 166902881
methyl (2S)-4-(difluoromethoxymethyl)pyrrolidine-2-carboxylate
CID 130415000
(4S)-4-(2-cyclobutylethyl)-1-methyl-2-propan-2-ylpyrrolidine
CID 167547776
N-[(1-methylazetidin-3-yl)methoxy]propan-2-amine
CID 118333573
(2S,4R)-2-(difluoromethoxymethyl)-4-hydroxypyrrolidine-1-carboxylic acid
CID 175152885
(2S)-4-(methoxymethyl)-1,2-di(propan-2-yl)pyrrolidine;(2S)-4-methyl-1,2-di(propan-2-yl)pyrrolidine;(5S)-2-methyl-1,5-di(propan-2-yl)pyrrolidine
CID 158461176

Frequently Asked Questions

What is the IUPAC name of (2S)-4-(difluoromethoxymethyl)-N-methyl-2-propan-2-ylpyrrolidin-1-amine?
The IUPAC name of (2S)-4-(difluoromethoxymethyl)-N-methyl-2-propan-2-ylpyrrolidin-1-amine (CID 147558293) is (2S)-4-(difluoromethoxymethyl)-N-methyl-2-propan-2-ylpyrrolidin-1-amine.
What is the SMILES notation for (2S)-4-(difluoromethoxymethyl)-N-methyl-2-propan-2-ylpyrrolidin-1-amine?
The canonical SMILES for (2S)-4-(difluoromethoxymethyl)-N-methyl-2-propan-2-ylpyrrolidin-1-amine is CNN1CC(COC(F)F)C[C@H]1C(C)C.
What is the InChIKey of (2S)-4-(difluoromethoxymethyl)-N-methyl-2-propan-2-ylpyrrolidin-1-amine?
The InChIKey is FSCPSEUQYLDUBT-GKAPJAKFSA-N. The full InChI is InChI=1S/C10H20F2N2O/c1-7(2)9-4-8(5-14(9)13-3)6-15-10(11)12/h7-10,13H,4-6H2,1-3H3/t8?,9-/m0/s1.
What are the key properties of (2S)-4-(difluoromethoxymethyl)-N-methyl-2-propan-2-ylpyrrolidin-1-amine?
(2S)-4-(difluoromethoxymethyl)-N-methyl-2-propan-2-ylpyrrolidin-1-amine has a molecular weight of 222.28 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-(difluoromethoxymethyl)-N-methyl-2-propan-2-ylpyrrolidin-1-amine is sourced from PubChem (CID 147558293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).