(2S,3S)-3-(fluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine

C8H16FNO — CID 168881283

IUPAC(2S,3S)-3-(fluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine
SMILESCOC[C@@H]1[C@@H](CF)CCN1C
InChIInChI=1S/C8H16FNO/c1-10-4-3-7(5-9)8(10)6-11-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyZLRFORZEKYRJCB-HTQZYQBOSA-N
MW161.22 g/mol
LogP0.92
Rot. Bonds3

About (2S,3S)-3-(fluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine

(2S,3S)-3-(fluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine (PubChem CID 168881283) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (2S,3S)-3-(fluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S,3S)-3-(fluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine
PubChem CID168881283
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(2S,3S)-3-(fluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine
SMILESCOC[C@@H]1[C@@H](CF)CCN1C
InChIInChI=1S/C8H16FNO/c1-10-4-3-7(5-9)8(10)6-11-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyZLRFORZEKYRJCB-HTQZYQBOSA-N
XLogP0.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-(fluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine?
The IUPAC name of (2S,3S)-3-(fluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine (CID 168881283) is (2S,3S)-3-(fluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for (2S,3S)-3-(fluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for (2S,3S)-3-(fluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine is COC[C@@H]1[C@@H](CF)CCN1C.
What is the InChIKey of (2S,3S)-3-(fluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine?
The InChIKey is ZLRFORZEKYRJCB-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16FNO/c1-10-4-3-7(5-9)8(10)6-11-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (2S,3S)-3-(fluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine?
(2S,3S)-3-(fluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine has a molecular weight of 161.22 g/mol, XLogP of 0.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-(fluoromethyl)-2-(methoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 168881283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).