3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane

C9H16FN — CID 170421734

IUPAC3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane
SMILESCC(C)C12CCN1CC(F)C2
InChIInChI=1S/C9H16FN/c1-7(2)9-3-4-11(9)6-8(10)5-9/h7-8H,3-6H2,1-2H3
InChIKeyGFFGSGSXNYNATE-UHFFFAOYSA-N
MW157.23 g/mol
LogP1.83
Rot. Bonds1

About 3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane

3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane (PubChem CID 170421734) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane
PubChem CID170421734
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane
SMILESCC(C)C12CCN1CC(F)C2
InChIInChI=1S/C9H16FN/c1-7(2)9-3-4-11(9)6-8(10)5-9/h7-8H,3-6H2,1-2H3
InChIKeyGFFGSGSXNYNATE-UHFFFAOYSA-N
XLogP1.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane?
The IUPAC name of 3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane (CID 170421734) is 3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane?
The canonical SMILES for 3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane is CC(C)C12CCN1CC(F)C2.
What is the InChIKey of 3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane?
The InChIKey is GFFGSGSXNYNATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-7(2)9-3-4-11(9)6-8(10)5-9/h7-8H,3-6H2,1-2H3.
What are the key properties of 3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane?
3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane has a molecular weight of 157.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-propan-2-yl-1-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 170421734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).