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

C11H22FNO — CID 146652242

IUPAC(4R)-4-fluoro-1,2-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCN1C[C@H](F)CC1(C)COC(C)(C)C
InChIInChI=1S/C11H22FNO/c1-10(2,3)14-8-11(4)6-9(12)7-13(11)5/h9H,6-8H2,1-5H3/t9-,11?/m1/s1
InChIKeyZBVKIGOTCWEISJ-BFHBGLAWSA-N
MW203.30 g/mol
LogP2.23
Rot. Bonds2

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

(4R)-4-fluoro-1,2-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (PubChem CID 146652242) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is (4R)-4-fluoro-1,2-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.

Molecular Properties

Compound Name(4R)-4-fluoro-1,2-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
PubChem CID146652242
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name(4R)-4-fluoro-1,2-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine
SMILESCN1C[C@H](F)CC1(C)COC(C)(C)C
InChIInChI=1S/C11H22FNO/c1-10(2,3)14-8-11(4)6-9(12)7-13(11)5/h9H,6-8H2,1-5H3/t9-,11?/m1/s1
InChIKeyZBVKIGOTCWEISJ-BFHBGLAWSA-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
2-(Methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 118615691
1-Ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 118615712
2-(Methoxymethyl)-1-propan-2-yl-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 130399588
(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 (4R)-4-fluoro-1,2-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The IUPAC name of (4R)-4-fluoro-1,2-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine (CID 146652242) is (4R)-4-fluoro-1,2-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine.
What is the SMILES notation for (4R)-4-fluoro-1,2-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The canonical SMILES for (4R)-4-fluoro-1,2-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is CN1C[C@H](F)CC1(C)COC(C)(C)C.
What is the InChIKey of (4R)-4-fluoro-1,2-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
The InChIKey is ZBVKIGOTCWEISJ-BFHBGLAWSA-N. The full InChI is InChI=1S/C11H22FNO/c1-10(2,3)14-8-11(4)6-9(12)7-13(11)5/h9H,6-8H2,1-5H3/t9-,11?/m1/s1.
What are the key properties of (4R)-4-fluoro-1,2-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine?
(4R)-4-fluoro-1,2-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 (4R)-4-fluoro-1,2-dimethyl-2-[(2-methylpropan-2-yl)oxymethyl]pyrrolidine is sourced from PubChem (CID 146652242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).