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

C8H16FNO — CID 168880796

IUPAC(2S,4R)-4-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine
SMILESCOC[C@@H]1C[C@@](C)(F)CN1C
InChIInChI=1S/C8H16FNO/c1-8(9)4-7(5-11-3)10(2)6-8/h7H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyMMQDZCGTGRVHAP-JGVFFNPUSA-N
MW161.22 g/mol
LogP1.07
Rot. Bonds2

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

(2S,4R)-4-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine (PubChem CID 168880796) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine
PubChem CID168880796
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(2S,4R)-4-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine
SMILESCOC[C@@H]1C[C@@](C)(F)CN1C
InChIInChI=1S/C8H16FNO/c1-8(9)4-7(5-11-3)10(2)6-8/h7H,4-6H2,1-3H3/t7-,8+/m0/s1
InChIKeyMMQDZCGTGRVHAP-JGVFFNPUSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine?
The IUPAC name of (2S,4R)-4-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine (CID 168880796) is (2S,4R)-4-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine.
What is the SMILES notation for (2S,4R)-4-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine?
The canonical SMILES for (2S,4R)-4-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine is COC[C@@H]1C[C@@](C)(F)CN1C.
What is the InChIKey of (2S,4R)-4-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine?
The InChIKey is MMQDZCGTGRVHAP-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H16FNO/c1-8(9)4-7(5-11-3)10(2)6-8/h7H,4-6H2,1-3H3/t7-,8+/m0/s1.
What are the key properties of (2S,4R)-4-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine?
(2S,4R)-4-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine has a molecular weight of 161.22 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-2-(methoxymethyl)-1,4-dimethylpyrrolidine is sourced from PubChem (CID 168880796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).