(3S)-3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine

C7H14FNO — CID 148811782

IUPAC(3S)-3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine
SMILESCOC[C@]1(F)CCN(C)C1
InChIInChI=1S/C7H14FNO/c1-9-4-3-7(8,5-9)6-10-2/h3-6H2,1-2H3/t7-/m0/s1
InChIKeyOQBCMUSHICBXLL-ZETCQYMHSA-N
MW147.19 g/mol
LogP0.68
Rot. Bonds2

About (3S)-3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine

(3S)-3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine (PubChem CID 148811782) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is (3S)-3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name(3S)-3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine
PubChem CID148811782
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name(3S)-3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine
SMILESCOC[C@]1(F)CCN(C)C1
InChIInChI=1S/C7H14FNO/c1-9-4-3-7(8,5-9)6-10-2/h3-6H2,1-2H3/t7-/m0/s1
InChIKeyOQBCMUSHICBXLL-ZETCQYMHSA-N
XLogP0.68
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine?
The IUPAC name of (3S)-3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine (CID 148811782) is (3S)-3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for (3S)-3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for (3S)-3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine is COC[C@]1(F)CCN(C)C1.
What is the InChIKey of (3S)-3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine?
The InChIKey is OQBCMUSHICBXLL-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H14FNO/c1-9-4-3-7(8,5-9)6-10-2/h3-6H2,1-2H3/t7-/m0/s1.
What are the key properties of (3S)-3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine?
(3S)-3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine has a molecular weight of 147.19 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 148811782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).