[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite

C9H16FNO — CID 164878789

IUPAC[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite
SMILESFOCC1(CN2CCCC2)CC1
InChIInChI=1S/C9H16FNO/c10-12-8-9(3-4-9)7-11-5-1-2-6-11/h1-8H2
InChIKeyJTPOIPMLZDVYKW-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.76
Rot. Bonds4

About [1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite

[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite (PubChem CID 164878789) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is [1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite.

Molecular Properties

Compound Name[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite
PubChem CID164878789
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite
SMILESFOCC1(CN2CCCC2)CC1
InChIInChI=1S/C9H16FNO/c10-12-8-9(3-4-9)7-11-5-1-2-6-11/h1-8H2
InChIKeyJTPOIPMLZDVYKW-UHFFFAOYSA-N
XLogP1.76
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1-((Pyrrolidin-1-yl)methyl)cyclopropyl)methanol
CID 66854227
[1-[[(3R)-3-Fluoropyrrolidin-1-YL]methyl]cyclopropyl]methanol
CID 155348589
(3S)-3-fluoro-1-[[1-[(2-methylpropan-2-yl)oxymethyl]cyclopropyl]methyl]pyrrolidine
CID 155794158
[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
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-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite?
The IUPAC name of [1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite (CID 164878789) is [1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite.
What is the SMILES notation for [1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite?
The canonical SMILES for [1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite is FOCC1(CN2CCCC2)CC1.
What is the InChIKey of [1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite?
The InChIKey is JTPOIPMLZDVYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c10-12-8-9(3-4-9)7-11-5-1-2-6-11/h1-8H2.
What are the key properties of [1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite?
[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite has a molecular weight of 173.23 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl hypofluorite is sourced from PubChem (CID 164878789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).