(2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine

C10H20FNO — CID 59028649

IUPAC(2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1C[C@@H](F)CN1C(C)(C)C
InChIInChI=1S/C10H20FNO/c1-10(2,3)12-6-8(11)5-9(12)7-13-4/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyKVYXFOQGODVZRN-BDAKNGLRSA-N
MW189.27 g/mol
LogP1.84
Rot. Bonds2

About (2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine

(2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine (PubChem CID 59028649) has the molecular formula C10H20FNO and a molecular weight of 189.27 g/mol. Its IUPAC name is (2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine
PubChem CID59028649
Molecular FormulaC10H20FNO
Molecular Weight189.27 g/mol
Exact Mass189.15
IUPAC Name(2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1C[C@@H](F)CN1C(C)(C)C
InChIInChI=1S/C10H20FNO/c1-10(2,3)12-6-8(11)5-9(12)7-13-4/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1
InChIKeyKVYXFOQGODVZRN-BDAKNGLRSA-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
(2R)-2-(methoxymethyl)-1-methylpyrrolidine
CID 57512644
(2S)-2-(ethenoxymethyl)-1-(2-fluoroethyl)pyrrolidine
CID 59825183
(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
(1-Tert-butyl-4-fluoropyrrolidin-2-yl)methanol
CID 77284419
(2S,4R)-1-ethyl-4-fluoro-2-(methoxymethyl)pyrrolidine
CID 89317886
2-Ethyl-4-fluoro-1-(2-methoxyethyl)pyrrolidine
CID 117904731
2-(Methoxymethyl)-1-methyl-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 118615691
1-Ethyl-2-(methoxymethyl)-2-(2,2,2-trifluoroethyl)pyrrolidine
CID 118615712
4-Fluoro-2-(2-methoxyethoxymethyl)-1-methylpyrrolidine
CID 126542183

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine (CID 59028649) is (2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine is COC[C@@H]1C[C@@H](F)CN1C(C)(C)C.
What is the InChIKey of (2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine?
The InChIKey is KVYXFOQGODVZRN-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H20FNO/c1-10(2,3)12-6-8(11)5-9(12)7-13-4/h8-9H,5-7H2,1-4H3/t8-,9+/m1/s1.
What are the key properties of (2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine?
(2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)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 (2S,4R)-1-tert-butyl-4-fluoro-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 59028649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).