1-fluoro-3-methoxypyrrolidine

C5H10FNO — CID 123891077

IUPAC1-fluoro-3-methoxypyrrolidine
SMILESCOC1CCN(F)C1
InChIInChI=1S/C5H10FNO/c1-8-5-2-3-7(6)4-5/h5H,2-4H2,1H3
InChIKeyPXHPVYVSKLNHIU-UHFFFAOYSA-N
MW119.14 g/mol
LogP0.59
Rot. Bonds1

About 1-fluoro-3-methoxypyrrolidine

1-fluoro-3-methoxypyrrolidine (PubChem CID 123891077) has the molecular formula C5H10FNO and a molecular weight of 119.14 g/mol. Its IUPAC name is 1-fluoro-3-methoxypyrrolidine.

Molecular Properties

Compound Name1-fluoro-3-methoxypyrrolidine
PubChem CID123891077
Molecular FormulaC5H10FNO
Molecular Weight119.14 g/mol
Exact Mass119.07
IUPAC Name1-fluoro-3-methoxypyrrolidine
SMILESCOC1CCN(F)C1
InChIInChI=1S/C5H10FNO/c1-8-5-2-3-7(6)4-5/h5H,2-4H2,1H3
InChIKeyPXHPVYVSKLNHIU-UHFFFAOYSA-N
XLogP0.59
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-fluoro-4-methoxypiperidine
CID 154266449
(3R)-1-methanidyl-3-methoxypyrrolidine
CID 58679816
methanol;3-methoxy-1-methylpyrrolidine
CID 164878451
(3R)-1-(2,2-difluoroethyl)-3-methoxypyrrolidine;hydrochloride
CID 130670186
(3R)-3-methoxy-1-methylsulfonylpyrrolidine
CID 121246941
1-cyclohexyl-3-methoxypyrrolidine
CID 154019623
1-(3-methoxypyrrolidin-1-yl)ethanone
CID 19039602
(3R)-3-methoxy-1-methylpiperidine
CID 70315605
2-(3-methoxypyrrolidin-1-yl)propanoic acid
CID 103535131
3-methoxy-1-(2-methoxyethyl)pyrrolidine;methyl hypofluorite
CID 170772093
methyl (3R)-3-methoxypyrrolidine-1-carboxylate
CID 123673110
ethane;3-methoxy-1-methylpyrrolidine;propan-2-ol
CID 168976522

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-methoxypyrrolidine?
The IUPAC name of 1-fluoro-3-methoxypyrrolidine (CID 123891077) is 1-fluoro-3-methoxypyrrolidine.
What is the SMILES notation for 1-fluoro-3-methoxypyrrolidine?
The canonical SMILES for 1-fluoro-3-methoxypyrrolidine is COC1CCN(F)C1.
What is the InChIKey of 1-fluoro-3-methoxypyrrolidine?
The InChIKey is PXHPVYVSKLNHIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10FNO/c1-8-5-2-3-7(6)4-5/h5H,2-4H2,1H3.
What are the key properties of 1-fluoro-3-methoxypyrrolidine?
1-fluoro-3-methoxypyrrolidine has a molecular weight of 119.14 g/mol, XLogP of 0.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-methoxypyrrolidine is sourced from PubChem (CID 123891077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).