(2S)-4-fluoro-1,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

C11H22FNO — CID 159739796

IUPAC(2S)-4-fluoro-1,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCN1CC(C)(F)C[C@H]1COC(C)(C)C
InChIInChI=1S/C11H22FNO/c1-10(2,3)14-7-9-6-11(4,12)8-13(9)5/h9H,6-8H2,1-5H3/t9-,11?/m0/s1
InChIKeyKLRMEJWNDNSKDQ-FTNKSUMCSA-N
MW203.30 g/mol
LogP2.23
Rot. Bonds2

About (2S)-4-fluoro-1,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine

(2S)-4-fluoro-1,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (PubChem CID 159739796) 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-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name(2S)-4-fluoro-1,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
PubChem CID159739796
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name(2S)-4-fluoro-1,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCN1CC(C)(F)C[C@H]1COC(C)(C)C
InChIInChI=1S/C11H22FNO/c1-10(2,3)14-7-9-6-11(4,12)8-13(9)5/h9H,6-8H2,1-5H3/t9-,11?/m0/s1
InChIKeyKLRMEJWNDNSKDQ-FTNKSUMCSA-N
XLogP2.23
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 59028649
2-(Ethoxymethyl)-4-fluoro-1-methylpyrrolidine
CID 76646808
(2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 89317886
2-(Methoxymethyl)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 130399588
1-(2-Fluoroethyl)-2-(methoxymethyl)pyrrolidine
CID 131202671
(2R,4R)-4-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 139364341
(2S,4S)-4-fluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 139364344
(2R)-1-(difluoromethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 140929377
(2R)-1-(2,2-difluoroethyl)-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 140929469
(2R)-4,4-difluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 141637856
(2S)-4,4-difluoro-1-methyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
CID 141637993
(2S)-2-(ethoxymethyl)-1-(2-fluoroethyl)pyrrolidine
CID 143226929

Frequently Asked Questions

What is the IUPAC name of (2S)-4-fluoro-1,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The IUPAC name of (2S)-4-fluoro-1,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (CID 159739796) is (2S)-4-fluoro-1,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for (2S)-4-fluoro-1,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The canonical SMILES for (2S)-4-fluoro-1,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is CN1CC(C)(F)C[C@H]1COC(C)(C)C.
What is the InChIKey of (2S)-4-fluoro-1,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The InChIKey is KLRMEJWNDNSKDQ-FTNKSUMCSA-N. The full InChI is InChI=1S/C11H22FNO/c1-10(2,3)14-7-9-6-11(4,12)8-13(9)5/h9H,6-8H2,1-5H3/t9-,11?/m0/s1.
What are the key properties of (2S)-4-fluoro-1,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
(2S)-4-fluoro-1,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine has a molecular weight of 203.30 g/mol, XLogP of 2.23, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-fluoro-1,4-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 159739796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).