(2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine

C9H17F2NO — CID 155061244

IUPAC(2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OC[C@@H]1CC(F)(F)CN1C
InChIInChI=1S/C9H17F2NO/c1-7(2)13-5-8-4-9(10,11)6-12(8)3/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyJUDJQEYYJKZQQN-QMMMGPOBSA-N
MW193.24 g/mol
LogP1.75
Rot. Bonds3

About (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine

(2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (PubChem CID 155061244) has the molecular formula C9H17F2NO and a molecular weight of 193.24 g/mol. Its IUPAC name is (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
PubChem CID155061244
Molecular FormulaC9H17F2NO
Molecular Weight193.24 g/mol
Exact Mass193.13
IUPAC Name(2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine
SMILESCC(C)OC[C@@H]1CC(F)(F)CN1C
InChIInChI=1S/C9H17F2NO/c1-7(2)13-5-8-4-9(10,11)6-12(8)3/h7-8H,4-6H2,1-3H3/t8-/m0/s1
InChIKeyJUDJQEYYJKZQQN-QMMMGPOBSA-N
XLogP1.75
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R,5S)-4-Fluorotetrahydro-N,N,N,5-tetramethyl-2-furanmethanaminium
CID 195699
[(2S,5S)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 9990216
[(2R,5S)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10442649
[(2S,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10495976
[(2R,5R)-4,4-difluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 10591832
N-butyl-N-(oxolan-2-ylmethyl)butan-1-amine
CID 10998362
[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 15930135
1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine
CID 57486602
1-[2-(2,2-Difluoropropoxy)cyclohexyl]pyrrolidine
CID 58341560
(2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 59028649
2-(1,1,1-Trifluoropropan-2-yloxymethyl)pyrrolidine
CID 66274591
(2S,4S)-4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine
CID 68087112

Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The IUPAC name of (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine (CID 155061244) is (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The canonical SMILES for (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine is CC(C)OC[C@@H]1CC(F)(F)CN1C.
What is the InChIKey of (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
The InChIKey is JUDJQEYYJKZQQN-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17F2NO/c1-7(2)13-5-8-4-9(10,11)6-12(8)3/h7-8H,4-6H2,1-3H3/t8-/m0/s1.
What are the key properties of (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine?
(2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine has a molecular weight of 193.24 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoro-1-methyl-2-(propan-2-yloxymethyl)pyrrolidine is sourced from PubChem (CID 155061244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).