(2R,3S,4S)-3-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine

C8H16FNO — CID 168881066

IUPAC(2R,3S,4S)-3-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine
SMILESCOC[C@@H]1[C@@H](F)[C@@H](C)CN1C
InChIInChI=1S/C8H16FNO/c1-6-4-10(2)7(5-11-3)8(6)9/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1
InChIKeyDCEMEHVNMBPSRX-RNJXMRFFSA-N
MW161.22 g/mol
LogP0.92
Rot. Bonds2

About (2R,3S,4S)-3-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine

(2R,3S,4S)-3-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine (PubChem CID 168881066) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (2R,3S,4S)-3-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine.

Molecular Properties

Compound Name(2R,3S,4S)-3-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine
PubChem CID168881066
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(2R,3S,4S)-3-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine
SMILESCOC[C@@H]1[C@@H](F)[C@@H](C)CN1C
InChIInChI=1S/C8H16FNO/c1-6-4-10(2)7(5-11-3)8(6)9/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1
InChIKeyDCEMEHVNMBPSRX-RNJXMRFFSA-N
XLogP0.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,3S,4S)-3-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine 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,3S,4S)-3-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine?
The IUPAC name of (2R,3S,4S)-3-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine (CID 168881066) is (2R,3S,4S)-3-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine.
What is the SMILES notation for (2R,3S,4S)-3-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine?
The canonical SMILES for (2R,3S,4S)-3-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine is COC[C@@H]1[C@@H](F)[C@@H](C)CN1C.
What is the InChIKey of (2R,3S,4S)-3-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine?
The InChIKey is DCEMEHVNMBPSRX-RNJXMRFFSA-N. The full InChI is InChI=1S/C8H16FNO/c1-6-4-10(2)7(5-11-3)8(6)9/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1.
What are the key properties of (2R,3S,4S)-3-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine?
(2R,3S,4S)-3-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine has a molecular weight of 161.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-3-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine is sourced from PubChem (CID 168881066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).