(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine

C11H22FNO — CID 175612152

IUPAC(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESC[C@@H]([C@@H]1CC(CN1C)(C)F)OC(C)C
InChIInChI=1S/C11H22FNO/c1-8(2)14-9(3)10-6-11(4,12)7-13(10)5/h8-10H,6-7H2,1-5H3/t9-,10-,11?/m0/s1
InChIKeyKDZSVJPMGBCZLL-QRHSGQBVSA-N
MW203.30 g/mol
LogP2.10
Rot. Bonds3

About (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine

(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (PubChem CID 175612152) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
PubChem CID175612152
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine
SMILESC[C@@H]([C@@H]1CC(CN1C)(C)F)OC(C)C
InChIInChI=1S/C11H22FNO/c1-8(2)14-9(3)10-6-11(4,12)7-13(10)5/h8-10H,6-7H2,1-5H3/t9-,10-,11?/m0/s1
InChIKeyKDZSVJPMGBCZLL-QRHSGQBVSA-N
XLogP2.10
TPSA12.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity198

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,4R,5S)-4-Fluorotetrahydro-N,N,N,5-tetramethyl-2-furanmethanaminium
CID 195699
[(2S,4S,5S)-4-fluoro-5-methyloxolan-2-yl]methyl-trimethylazanium
CID 15930135
3-Fluoro-2-(methoxymethyl)-1,4-di(propan-2-yl)pyrrolidine
CID 58778841
(2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 59028649
(2S,4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine
CID 59611228
(4S)-4-(difluoromethoxy)-1,2-di(propan-2-yl)pyrrolidine
CID 68089704
(2S,4S)-1,2-di(propan-2-yl)-4-(2,2,2-trifluoroethoxy)pyrrolidine
CID 68089705
2-(Ethoxymethyl)-4-fluoro-1-methylpyrrolidine
CID 76646808
(2S,4S)-4-(difluoromethoxy)-1-methyl-2-propan-2-ylpyrrolidine
CID 89094451
(2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 89317886
2-(Methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 118615691
1-Ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 118615712

Frequently Asked Questions

What is the IUPAC name of (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The IUPAC name of (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine (CID 175612152) is (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine.
What is the SMILES notation for (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The canonical SMILES for (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine is C[C@@H]([C@@H]1CC(CN1C)(C)F)OC(C)C.
What is the InChIKey of (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
The InChIKey is KDZSVJPMGBCZLL-QRHSGQBVSA-N. The full InChI is InChI=1S/C11H22FNO/c1-8(2)14-9(3)10-6-11(4,12)7-13(10)5/h8-10H,6-7H2,1-5H3/t9-,10-,11?/m0/s1.
What are the key properties of (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine?
(2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine has a molecular weight of 203.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-fluoro-1,4-dimethyl-2-[(1S)-1-propan-2-yloxyethyl]pyrrolidine is sourced from PubChem (CID 175612152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).