(2R,3S)-3-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

C10H20FNO — CID 146652234

IUPAC(2R,3S)-3-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCN1CC[C@H](F)[C@H]1COC(C)(C)C
InChIInChI=1S/C10H20FNO/c1-10(2,3)13-7-9-8(11)5-6-12(9)4/h8-9H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKeyKMFUPVFFWBTGCC-DTWKUNHWSA-N
MW189.27 g/mol
LogP1.84
Rot. Bonds2

About (2R,3S)-3-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

(2R,3S)-3-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (PubChem CID 146652234) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (2R,3S)-3-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name(2R,3S)-3-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
PubChem CID146652234
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(2R,3S)-3-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCN1CC[C@H](F)[C@H]1COC(C)(C)C
InChIInChI=1S/C10H20FNO/c1-10(2,3)13-7-9-8(11)5-6-12(9)4/h8-9H,5-7H2,1-4H3/t8-,9+/m0/s1
InChIKeyKMFUPVFFWBTGCC-DTWKUNHWSA-N
XLogP1.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.27
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Bismethoxymethyl pyrrolidine
CID 22475505
(2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 59028649
(2S,4S)-4-fluoro-2-(methoxymethyl)-1-methylpyrrolidine
CID 68087112
2-(Ethoxymethyl)-4-fluoro-1-methylpyrrolidine
CID 76646808
4-Fluoro-2-(methoxymethyl)-1-methylpyrrolidine
CID 76646851
(2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 89317886
4-Fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine
CID 126542183
(2R)-1-(2,2-difluoroethyl)-2-(methoxymethyl)pyrrolidine
CID 129297596
2-(Difluoromethoxymethyl)-1-ethylpyrrolidine
CID 130225831
1-(2-Fluoroethyl)-2-(methoxymethyl)pyrrolidine
CID 131202671
2-(Difluoromethoxymethyl)-1-(2,2-dimethylpropyl)pyrrolidine
CID 137419191
(2R,4R)-4-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 139364341

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The IUPAC name of (2R,3S)-3-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (CID 146652234) is (2R,3S)-3-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for (2R,3S)-3-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The canonical SMILES for (2R,3S)-3-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is CN1CC[C@H](F)[C@H]1COC(C)(C)C.
What is the InChIKey of (2R,3S)-3-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The InChIKey is KMFUPVFFWBTGCC-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H20FNO/c1-10(2,3)13-7-9-8(11)5-6-12(9)4/h8-9H,5-7H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of (2R,3S)-3-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
(2R,3S)-3-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine has a molecular weight of 189.27 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 146652234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).