1-[difluoro(methoxy)methyl]pyrrolidine;hydrofluoride

C6H12F3NO — CID 158937890

IUPAC1-[difluoro(methoxy)methyl]pyrrolidine;hydrofluoride
SMILESCOC(F)(F)N1CCCC1.F
InChIInChI=1S/C6H11F2NO.FH/c1-10-6(7,8)9-4-2-3-5-9;/h2-5H2,1H3;1H
InChIKeyJJWKVUOHHLAATE-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.43
Rot. Bonds2

About 1-[difluoro(methoxy)methyl]pyrrolidine;hydrofluoride

1-[difluoro(methoxy)methyl]pyrrolidine;hydrofluoride (PubChem CID 158937890) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]pyrrolidine;hydrofluoride.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]pyrrolidine;hydrofluoride
PubChem CID158937890
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name1-[difluoro(methoxy)methyl]pyrrolidine;hydrofluoride
SMILESCOC(F)(F)N1CCCC1.F
InChIInChI=1S/C6H11F2NO.FH/c1-10-6(7,8)9-4-2-3-5-9;/h2-5H2,1H3;1H
InChIKeyJJWKVUOHHLAATE-UHFFFAOYSA-N
XLogP1.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methoxy)methyl]pyrrolidine;hydrofluoride?
The IUPAC name of 1-[difluoro(methoxy)methyl]pyrrolidine;hydrofluoride (CID 158937890) is 1-[difluoro(methoxy)methyl]pyrrolidine;hydrofluoride.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]pyrrolidine;hydrofluoride?
The canonical SMILES for 1-[difluoro(methoxy)methyl]pyrrolidine;hydrofluoride is COC(F)(F)N1CCCC1.F.
What is the InChIKey of 1-[difluoro(methoxy)methyl]pyrrolidine;hydrofluoride?
The InChIKey is JJWKVUOHHLAATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO.FH/c1-10-6(7,8)9-4-2-3-5-9;/h2-5H2,1H3;1H.
What are the key properties of 1-[difluoro(methoxy)methyl]pyrrolidine;hydrofluoride?
1-[difluoro(methoxy)methyl]pyrrolidine;hydrofluoride has a molecular weight of 171.16 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[difluoro(methoxy)methyl]pyrrolidine;hydrofluoride is sourced from PubChem (CID 158937890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).