(5S)-1-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane

C9H16FNO — CID 176594185

IUPAC(5S)-1-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane
SMILESCC(C)N1C[C@@H]2CC(F)(CO2)C1
InChIInChI=1S/C9H16FNO/c1-7(2)11-4-8-3-9(10,5-11)6-12-8/h7-8H,3-6H2,1-2H3/t8-,9?/m0/s1
InChIKeyYSUPWICWKKBIHP-IENPIDJESA-N
MW173.23 g/mol
LogP1.21
Rot. Bonds1

About (5S)-1-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane

(5S)-1-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 176594185) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (5S)-1-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(5S)-1-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane
PubChem CID176594185
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(5S)-1-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane
SMILESCC(C)N1C[C@@H]2CC(F)(CO2)C1
InChIInChI=1S/C9H16FNO/c1-7(2)11-4-8-3-9(10,5-11)6-12-8/h7-8H,3-6H2,1-2H3/t8-,9?/m0/s1
InChIKeyYSUPWICWKKBIHP-IENPIDJESA-N
XLogP1.21
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5S)-1-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of (5S)-1-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane (CID 176594185) is (5S)-1-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for (5S)-1-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for (5S)-1-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane is CC(C)N1C[C@@H]2CC(F)(CO2)C1.
What is the InChIKey of (5S)-1-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is YSUPWICWKKBIHP-IENPIDJESA-N. The full InChI is InChI=1S/C9H16FNO/c1-7(2)11-4-8-3-9(10,5-11)6-12-8/h7-8H,3-6H2,1-2H3/t8-,9?/m0/s1.
What are the key properties of (5S)-1-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane?
(5S)-1-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 173.23 g/mol, XLogP of 1.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1-fluoro-3-propan-2-yl-6-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 176594185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).