(2S)-1-(2-fluoroethyl)-2-(methoxymethyl)pyrrolidine

C8H16FNO — CID 164921970

IUPAC(2S)-1-(2-fluoroethyl)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1CCF
InChIInChI=1S/C8H16FNO/c1-11-7-8-3-2-5-10(8)6-4-9/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeySMXQHNWLAPUFIJ-QMMMGPOBSA-N
MW161.22 g/mol
LogP1.07
Rot. Bonds4

About (2S)-1-(2-fluoroethyl)-2-(methoxymethyl)pyrrolidine

(2S)-1-(2-fluoroethyl)-2-(methoxymethyl)pyrrolidine (PubChem CID 164921970) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is (2S)-1-(2-fluoroethyl)-2-(methoxymethyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-1-(2-fluoroethyl)-2-(methoxymethyl)pyrrolidine
PubChem CID164921970
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name(2S)-1-(2-fluoroethyl)-2-(methoxymethyl)pyrrolidine
SMILESCOC[C@@H]1CCCN1CCF
InChIInChI=1S/C8H16FNO/c1-11-7-8-3-2-5-10(8)6-4-9/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeySMXQHNWLAPUFIJ-QMMMGPOBSA-N
XLogP1.07
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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)-1-(2-fluoroethyl)-2-(methoxymethyl)pyrrolidine?
The IUPAC name of (2S)-1-(2-fluoroethyl)-2-(methoxymethyl)pyrrolidine (CID 164921970) is (2S)-1-(2-fluoroethyl)-2-(methoxymethyl)pyrrolidine.
What is the SMILES notation for (2S)-1-(2-fluoroethyl)-2-(methoxymethyl)pyrrolidine?
The canonical SMILES for (2S)-1-(2-fluoroethyl)-2-(methoxymethyl)pyrrolidine is COC[C@@H]1CCCN1CCF.
What is the InChIKey of (2S)-1-(2-fluoroethyl)-2-(methoxymethyl)pyrrolidine?
The InChIKey is SMXQHNWLAPUFIJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16FNO/c1-11-7-8-3-2-5-10(8)6-4-9/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-(2-fluoroethyl)-2-(methoxymethyl)pyrrolidine?
(2S)-1-(2-fluoroethyl)-2-(methoxymethyl)pyrrolidine has a molecular weight of 161.22 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-fluoroethyl)-2-(methoxymethyl)pyrrolidine is sourced from PubChem (CID 164921970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).