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

C11H22FNO — CID 176631993

IUPAC(2R,4S)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine
SMILESCOC[C@]1(F)C[C@@H](C)N(C(C)(C)C)C1
InChIInChI=1S/C11H22FNO/c1-9-6-11(12,8-14-5)7-13(9)10(2,3)4/h9H,6-8H2,1-5H3/t9-,11+/m1/s1
InChIKeyGFCGODHRLMRRSZ-KOLCDFICSA-N
MW203.30 g/mol
LogP2.23
Rot. Bonds2

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

(2R,4S)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine (PubChem CID 176631993) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is (2R,4S)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine.

Molecular Properties

Compound Name(2R,4S)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine
PubChem CID176631993
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name(2R,4S)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine
SMILESCOC[C@]1(F)C[C@@H](C)N(C(C)(C)C)C1
InChIInChI=1S/C11H22FNO/c1-9-6-11(12,8-14-5)7-13(9)10(2,3)4/h9H,6-8H2,1-5H3/t9-,11+/m1/s1
InChIKeyGFCGODHRLMRRSZ-KOLCDFICSA-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

Analyze (2R,4S)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine?
The IUPAC name of (2R,4S)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine (CID 176631993) is (2R,4S)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine.
What is the SMILES notation for (2R,4S)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine?
The canonical SMILES for (2R,4S)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine is COC[C@]1(F)C[C@@H](C)N(C(C)(C)C)C1.
What is the InChIKey of (2R,4S)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine?
The InChIKey is GFCGODHRLMRRSZ-KOLCDFICSA-N. The full InChI is InChI=1S/C11H22FNO/c1-9-6-11(12,8-14-5)7-13(9)10(2,3)4/h9H,6-8H2,1-5H3/t9-,11+/m1/s1.
What are the key properties of (2R,4S)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine?
(2R,4S)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine 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 (2R,4S)-1-tert-butyl-4-fluoro-4-(methoxymethyl)-2-methylpyrrolidine is sourced from PubChem (CID 176631993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).