5-[(1-fluorocyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane

C9H14FNO — CID 131101853

IUPAC5-[(1-fluorocyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESFC1(CN2CC3CC2CO3)CC1
InChIInChI=1S/C9H14FNO/c10-9(1-2-9)6-11-4-8-3-7(11)5-12-8/h7-8H,1-6H2
InChIKeyYBDVQNKHHZCGDJ-UHFFFAOYSA-N
MW171.21 g/mol
LogP0.96
Rot. Bonds2

About 5-[(1-fluorocyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane

5-[(1-fluorocyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane (PubChem CID 131101853) has the molecular formula C9H14FNO and a molecular weight of 171.21 g/mol. Its IUPAC name is 5-[(1-fluorocyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name5-[(1-fluorocyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
PubChem CID131101853
Molecular FormulaC9H14FNO
Molecular Weight171.21 g/mol
Exact Mass171.11
IUPAC Name5-[(1-fluorocyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane
SMILESFC1(CN2CC3CC2CO3)CC1
InChIInChI=1S/C9H14FNO/c10-9(1-2-9)6-11-4-8-3-7(11)5-12-8/h7-8H,1-6H2
InChIKeyYBDVQNKHHZCGDJ-UHFFFAOYSA-N
XLogP0.96
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-fluorocyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The IUPAC name of 5-[(1-fluorocyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane (CID 131101853) is 5-[(1-fluorocyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane.
What is the SMILES notation for 5-[(1-fluorocyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The canonical SMILES for 5-[(1-fluorocyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane is FC1(CN2CC3CC2CO3)CC1.
What is the InChIKey of 5-[(1-fluorocyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
The InChIKey is YBDVQNKHHZCGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO/c10-9(1-2-9)6-11-4-8-3-7(11)5-12-8/h7-8H,1-6H2.
What are the key properties of 5-[(1-fluorocyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane?
5-[(1-fluorocyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane has a molecular weight of 171.21 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-fluorocyclopropyl)methyl]-2-oxa-5-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 131101853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).