[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl] hypofluorite

C8H16FNO — CID 142317595

IUPAC[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl] hypofluorite
SMILESC[C@H](COF)CN1CCCC1
InChIInChI=1S/C8H16FNO/c1-8(7-11-9)6-10-4-2-3-5-10/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyQOJOCTDBPTUNOH-QMMMGPOBSA-N
MW161.22 g/mol
LogP1.62
Rot. Bonds4

About [(2S)-2-methyl-3-pyrrolidin-1-ylpropyl] hypofluorite

[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl] hypofluorite (PubChem CID 142317595) has the molecular formula C8H16FNO and a molecular weight of 161.22 g/mol. Its IUPAC name is [(2S)-2-methyl-3-pyrrolidin-1-ylpropyl] hypofluorite.

Molecular Properties

Compound Name[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl] hypofluorite
PubChem CID142317595
Molecular FormulaC8H16FNO
Molecular Weight161.22 g/mol
Exact Mass161.12
IUPAC Name[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl] hypofluorite
SMILESC[C@H](COF)CN1CCCC1
InChIInChI=1S/C8H16FNO/c1-8(7-11-9)6-10-4-2-3-5-10/h8H,2-7H2,1H3/t8-/m0/s1
InChIKeyQOJOCTDBPTUNOH-QMMMGPOBSA-N
XLogP1.62
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.22
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Methyl-3-(pyrrolidin-1-yl)propan-1-ol
CID 25219176
(2R)-2-methyl-3-pyrrolidin-1-ylpropan-1-ol
CID 25418778
3-Fluoro-1-(3-methoxypropyl)pyrrolidine
CID 89037355
(3S)-3-fluoro-1-(3-methoxypropyl)pyrrolidine
CID 130270256
(3R)-3-fluoro-1-(3-methoxypropyl)pyrrolidine
CID 130270427
3-Pyrrolidin-1-ylpropyl hypofluorite
CID 141990659
1-(3-Ethoxypropyl)-3-fluoropyrrolidine
CID 142317673
(1-Ethylpyrrolidin-3-yl)methyl hypofluorite
CID 142317749
(3R)-1-(3-ethoxypropyl)-3-fluoropyrrolidine
CID 145385533
(3S)-3-fluoro-1-[3-(3-methylbutan-2-yloxy)propyl]pyrrolidine
CID 148708034
(3S)-1-(3-ethoxypropyl)-3-fluoropyrrolidine
CID 149506070
(1-Methylpyrrolidin-3-yl)methyl hypofluorite
CID 164002426

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-3-pyrrolidin-1-ylpropyl] hypofluorite?
The IUPAC name of [(2S)-2-methyl-3-pyrrolidin-1-ylpropyl] hypofluorite (CID 142317595) is [(2S)-2-methyl-3-pyrrolidin-1-ylpropyl] hypofluorite.
What is the SMILES notation for [(2S)-2-methyl-3-pyrrolidin-1-ylpropyl] hypofluorite?
The canonical SMILES for [(2S)-2-methyl-3-pyrrolidin-1-ylpropyl] hypofluorite is C[C@H](COF)CN1CCCC1.
What is the InChIKey of [(2S)-2-methyl-3-pyrrolidin-1-ylpropyl] hypofluorite?
The InChIKey is QOJOCTDBPTUNOH-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16FNO/c1-8(7-11-9)6-10-4-2-3-5-10/h8H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of [(2S)-2-methyl-3-pyrrolidin-1-ylpropyl] hypofluorite?
[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl] hypofluorite has a molecular weight of 161.22 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-3-pyrrolidin-1-ylpropyl] hypofluorite is sourced from PubChem (CID 142317595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).