[1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite

C9H15F2NO — CID 166533176

IUPAC[1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite
SMILESFOCC1(CN2CCC(F)C2)CC1
InChIInChI=1S/C9H15F2NO/c10-8-1-4-12(5-8)6-9(2-3-9)7-13-11/h8H,1-7H2
InChIKeyXDRKHRDXYQWQGG-UHFFFAOYSA-N
MW191.22 g/mol
LogP1.71
Rot. Bonds4

About [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite

[1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite (PubChem CID 166533176) has the molecular formula C9H15F2NO and a molecular weight of 191.22 g/mol. Its IUPAC name is [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite.

Molecular Properties

Compound Name[1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite
PubChem CID166533176
Molecular FormulaC9H15F2NO
Molecular Weight191.22 g/mol
Exact Mass191.11
IUPAC Name[1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite
SMILESFOCC1(CN2CCC(F)C2)CC1
InChIInChI=1S/C9H15F2NO/c10-8-1-4-12(5-8)6-9(2-3-9)7-13-11/h8H,1-7H2
InChIKeyXDRKHRDXYQWQGG-UHFFFAOYSA-N
XLogP1.71
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.22
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-((3,3-Difluoropyrrolidin-1-YL)methyl)cyclopropyl)methanol
CID 116991627
[1-[[(3R)-3-Fluoropyrrolidin-1-YL]methyl]cyclopropyl]methanol
CID 155348589
[1-[[(3S)-3-fluoropyrrolidin-1-yl]methyl]cyclopropyl]methyl hypoiodite
CID 156062080
[1-[(3,3-Difluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite
CID 156062281
(1-((3-Fluoropyrrolidin-1-YL)methyl)cyclopropyl)methanol
CID 162341985
[1-[[(3S)-3-Fluoropyrrolidin-1-YL]methyl]cyclopropyl]methanol
CID 162341986
3-Fluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 164878349
[1-(Pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite
CID 164878789
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine;ethane
CID 164879004
3,3-Difluoro-1-[[1-(methoxymethyl)cyclopropyl]methyl]pyrrolidine
CID 164879005
1-[[1-(Ethoxymethyl)cyclopropyl]methyl]-3-fluoropyrrolidine
CID 164904090
[1-[(3-Fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypoiodite
CID 164904219

Frequently Asked Questions

What is the IUPAC name of [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite?
The IUPAC name of [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite (CID 166533176) is [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite.
What is the SMILES notation for [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite?
The canonical SMILES for [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite is FOCC1(CN2CCC(F)C2)CC1.
What is the InChIKey of [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite?
The InChIKey is XDRKHRDXYQWQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO/c10-8-1-4-12(5-8)6-9(2-3-9)7-13-11/h8H,1-7H2.
What are the key properties of [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite?
[1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite has a molecular weight of 191.22 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(3-fluoropyrrolidin-1-yl)methyl]cyclopropyl]methyl hypofluorite is sourced from PubChem (CID 166533176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).