5-(3-fluoropropyl)-2-oxa-5-azabicyclo[4.1.0]heptane

C8H14FNO — CID 130934127

IUPAC5-(3-fluoropropyl)-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESFCCCN1CCOC2CC21
InChIInChI=1S/C8H14FNO/c9-2-1-3-10-4-5-11-8-6-7(8)10/h7-8H,1-6H2
InChIKeyHCKBTBQFUBTOPX-UHFFFAOYSA-N
MW159.20 g/mol
LogP0.82
Rot. Bonds3

About 5-(3-fluoropropyl)-2-oxa-5-azabicyclo[4.1.0]heptane

5-(3-fluoropropyl)-2-oxa-5-azabicyclo[4.1.0]heptane (PubChem CID 130934127) has the molecular formula C8H14FNO and a molecular weight of 159.20 g/mol. Its IUPAC name is 5-(3-fluoropropyl)-2-oxa-5-azabicyclo[4.1.0]heptane.

Molecular Properties

Compound Name5-(3-fluoropropyl)-2-oxa-5-azabicyclo[4.1.0]heptane
PubChem CID130934127
Molecular FormulaC8H14FNO
Molecular Weight159.20 g/mol
Exact Mass159.11
IUPAC Name5-(3-fluoropropyl)-2-oxa-5-azabicyclo[4.1.0]heptane
SMILESFCCCN1CCOC2CC21
InChIInChI=1S/C8H14FNO/c9-2-1-3-10-4-5-11-8-6-7(8)10/h7-8H,1-6H2
InChIKeyHCKBTBQFUBTOPX-UHFFFAOYSA-N
XLogP0.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.20
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoropropyl)-2-oxa-5-azabicyclo[4.1.0]heptane?
The IUPAC name of 5-(3-fluoropropyl)-2-oxa-5-azabicyclo[4.1.0]heptane (CID 130934127) is 5-(3-fluoropropyl)-2-oxa-5-azabicyclo[4.1.0]heptane.
What is the SMILES notation for 5-(3-fluoropropyl)-2-oxa-5-azabicyclo[4.1.0]heptane?
The canonical SMILES for 5-(3-fluoropropyl)-2-oxa-5-azabicyclo[4.1.0]heptane is FCCCN1CCOC2CC21.
What is the InChIKey of 5-(3-fluoropropyl)-2-oxa-5-azabicyclo[4.1.0]heptane?
The InChIKey is HCKBTBQFUBTOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO/c9-2-1-3-10-4-5-11-8-6-7(8)10/h7-8H,1-6H2.
What are the key properties of 5-(3-fluoropropyl)-2-oxa-5-azabicyclo[4.1.0]heptane?
5-(3-fluoropropyl)-2-oxa-5-azabicyclo[4.1.0]heptane has a molecular weight of 159.20 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoropropyl)-2-oxa-5-azabicyclo[4.1.0]heptane is sourced from PubChem (CID 130934127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).