2-[3-(2-cyclopropylacetyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl hypofluorite

C13H21FN2O2 — CID 143121271

IUPAC2-[3-(2-cyclopropylacetyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl hypofluorite
SMILESO=C(CC1CC1)N1CC2CCC(C1)N2CCOF
InChIInChI=1S/C13H21FN2O2/c14-18-6-5-16-11-3-4-12(16)9-15(8-11)13(17)7-10-1-2-10/h10-12H,1-9H2
InChIKeyPIAVOLFOMFETMO-UHFFFAOYSA-N
MW256.32 g/mol
LogP1.36
Rot. Bonds5

About 2-[3-(2-cyclopropylacetyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl hypofluorite

2-[3-(2-cyclopropylacetyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl hypofluorite (PubChem CID 143121271) has the molecular formula C13H21FN2O2 and a molecular weight of 256.32 g/mol. Its IUPAC name is 2-[3-(2-cyclopropylacetyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl hypofluorite.

Molecular Properties

Compound Name2-[3-(2-cyclopropylacetyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl hypofluorite
PubChem CID143121271
Molecular FormulaC13H21FN2O2
Molecular Weight256.32 g/mol
Exact Mass256.16
IUPAC Name2-[3-(2-cyclopropylacetyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl hypofluorite
SMILESO=C(CC1CC1)N1CC2CCC(C1)N2CCOF
InChIInChI=1S/C13H21FN2O2/c14-18-6-5-16-11-3-4-12(16)9-15(8-11)13(17)7-10-1-2-10/h10-12H,1-9H2
InChIKeyPIAVOLFOMFETMO-UHFFFAOYSA-N
XLogP1.36
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-Difluorocyclopropyl)-1-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone
CID 129269729
2-methylpropyl 8-[(1S,2R)-2-fluorocyclopropanecarbonyl]-3,8-diazabicyclo[3.2.1]octane-3-carboxylate
CID 167161423
(3-fluorocyclobutyl)-[(1S,5S)-8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 129555317
(1-fluorocyclobutyl)-[(1S,5S)-8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 129555419
(3-Fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 131679675
(1-Fluorocyclobutyl)-[8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]methanone
CID 131680045
2-[(2S)-4-(2-cyclopropylacetyl)-2-methylpiperazin-1-yl]ethyl hypofluorite
CID 143121344
2-(2,2-Difluorocyclopropyl)-1-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)ethanone
CID 162614653
Cyclopropyl-(3-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 70207747
2-Cyclopropyl-1-[8-(2-hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]ethanone
CID 70327216
Cyclopropyl-(3-methyl-3,8-diazabicyclo[3.2.1]octan-8-yl)methanone
CID 89047178
1-[8-(2-Hydroxyethyl)-3,8-diazabicyclo[3.2.1]octan-3-yl]-2-(1-methylcyclopropyl)ethanone
CID 143121399

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-cyclopropylacetyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl hypofluorite?
The IUPAC name of 2-[3-(2-cyclopropylacetyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl hypofluorite (CID 143121271) is 2-[3-(2-cyclopropylacetyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl hypofluorite.
What is the SMILES notation for 2-[3-(2-cyclopropylacetyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl hypofluorite?
The canonical SMILES for 2-[3-(2-cyclopropylacetyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl hypofluorite is O=C(CC1CC1)N1CC2CCC(C1)N2CCOF.
What is the InChIKey of 2-[3-(2-cyclopropylacetyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl hypofluorite?
The InChIKey is PIAVOLFOMFETMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O2/c14-18-6-5-16-11-3-4-12(16)9-15(8-11)13(17)7-10-1-2-10/h10-12H,1-9H2.
What are the key properties of 2-[3-(2-cyclopropylacetyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl hypofluorite?
2-[3-(2-cyclopropylacetyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl hypofluorite has a molecular weight of 256.32 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-cyclopropylacetyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]ethyl hypofluorite is sourced from PubChem (CID 143121271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).