1-[difluoro(methoxy)methyl]pyrrolidine

C6H11F2NO — CID 18721518

IUPAC1-[difluoro(methoxy)methyl]pyrrolidine
SMILESCOC(F)(F)N1CCCC1
InChIInChI=1S/C6H11F2NO/c1-10-6(7,8)9-4-2-3-5-9/h2-5H2,1H3
InChIKeyVBMDDACDQWZHJC-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.28
Rot. Bonds2

About 1-[difluoro(methoxy)methyl]pyrrolidine

1-[difluoro(methoxy)methyl]pyrrolidine (PubChem CID 18721518) has the molecular formula C6H11F2NO and a molecular weight of 151.16 g/mol. Its IUPAC name is 1-[difluoro(methoxy)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[difluoro(methoxy)methyl]pyrrolidine
PubChem CID18721518
Molecular FormulaC6H11F2NO
Molecular Weight151.16 g/mol
Exact Mass151.08
IUPAC Name1-[difluoro(methoxy)methyl]pyrrolidine
SMILESCOC(F)(F)N1CCCC1
InChIInChI=1S/C6H11F2NO/c1-10-6(7,8)9-4-2-3-5-9/h2-5H2,1H3
InChIKeyVBMDDACDQWZHJC-UHFFFAOYSA-N
XLogP1.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.28
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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Related Compounds

Methoxymethylpyrrolidine
CID 11412363
1-[Ethoxy(difluoro)methyl]pyrrolidine
CID 18721520
3,3-Difluoro-1-methylpyrrolidine
CID 20775182
3,3-Difluoro-1-(3-methoxypropyl)pyrrolidine
CID 21035011
1-(1,1,2,2,3,3-Hexafluoro-3-methoxypropyl)pyrrolidine
CID 57884774
3,3-Difluoro-1-(2-methoxyethyl)pyrrolidine
CID 58222106
2,2-Difluoro-1-methylpyrrolidine
CID 59189583
3,3-Difluoro-1-propylpyrrolidine
CID 59295114
1-Methyl-1-(1,1,2-trifluoroethyl)pyrrolidin-1-ium
CID 67090553
1-Methyl-1-(2,2,2-trifluoroethyl)pyrrolidin-1-ium
CID 67090554
1-Methyl-1-(1,2,2-trifluoroethyl)pyrrolidin-1-ium
CID 67090555
1-(2,2-Difluoropropoxymethyl)pyrrolidine
CID 68196822

Frequently Asked Questions

What is the IUPAC name of 1-[difluoro(methoxy)methyl]pyrrolidine?
The IUPAC name of 1-[difluoro(methoxy)methyl]pyrrolidine (CID 18721518) is 1-[difluoro(methoxy)methyl]pyrrolidine.
What is the SMILES notation for 1-[difluoro(methoxy)methyl]pyrrolidine?
The canonical SMILES for 1-[difluoro(methoxy)methyl]pyrrolidine is COC(F)(F)N1CCCC1.
What is the InChIKey of 1-[difluoro(methoxy)methyl]pyrrolidine?
The InChIKey is VBMDDACDQWZHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO/c1-10-6(7,8)9-4-2-3-5-9/h2-5H2,1H3.
What are the key properties of 1-[difluoro(methoxy)methyl]pyrrolidine?
1-[difluoro(methoxy)methyl]pyrrolidine has a molecular weight of 151.16 g/mol, XLogP of 1.28, 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 is sourced from PubChem (CID 18721518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).