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

C7H14FNO — CID 122549628

IUPAC3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine
SMILESCOCC1(F)CCN(C)C1
InChIInChI=1S/C7H14FNO/c1-9-4-3-7(8,5-9)6-10-2/h3-6H2,1-2H3
InChIKeyOQBCMUSHICBXLL-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.68
Rot. Bonds2

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

3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine (PubChem CID 122549628) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine
PubChem CID122549628
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine
SMILESCOCC1(F)CCN(C)C1
InChIInChI=1S/C7H14FNO/c1-9-4-3-7(8,5-9)6-10-2/h3-6H2,1-2H3
InChIKeyOQBCMUSHICBXLL-UHFFFAOYSA-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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Related Compounds

ethane;1-ethenyl-4-fluoro-4-(methoxymethyl)piperidine;vanadium
CID 177326898
3-ethyl-3-(methoxymethyl)-1-methylpyrrolidine
CID 130347228
4-fluoro-4-(methoxymethyl)-1-propan-2-ylpiperidine
CID 167239675
(3S)-3-fluoro-1-methyl-3-(propan-2-yloxymethyl)piperidine
CID 147142299
N-[(3-fluoro-1-methylpyrrolidin-3-yl)methyl]propan-2-amine
CID 178011017
[(3-fluoro-1-methylpyrrolidin-3-yl)methylamino]methanone;yttrium
CID 171561088
4-methoxy-4-(methoxymethyl)-1-methylpiperidine
CID 90227657
2-[3-fluoro-3-(methoxymethyl)pyrrolidin-1-yl]-1-piperidin-1-ylethanone
CID 171993161
(4-fluoro-1-methylpiperidin-4-yl)methanol
CID 24729611
3,3-difluoro-1-methylpyrrolidine;propane
CID 143065590
3-fluoro-3-(methoxymethyl)-1-propan-2-ylazetidine
CID 165149910
3-methoxy-1-methyl-3-propan-2-ylpyrrolidine
CID 163257812

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine?
The IUPAC name of 3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine (CID 122549628) is 3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine.
What is the SMILES notation for 3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine?
The canonical SMILES for 3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine is COCC1(F)CCN(C)C1.
What is the InChIKey of 3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine?
The InChIKey is OQBCMUSHICBXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-9-4-3-7(8,5-9)6-10-2/h3-6H2,1-2H3.
What are the key properties of 3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine?
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 3-fluoro-3-(methoxymethyl)-1-methylpyrrolidine is sourced from PubChem (CID 122549628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).