1-fluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol

C8H14FNO2 — CID 131024825

IUPAC1-fluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol
SMILESOC(CF)CN1CC2CC1CO2
InChIInChI=1S/C8H14FNO2/c9-2-7(11)3-10-4-8-1-6(10)5-12-8/h6-8,11H,1-5H2
InChIKeyYOWSGQBUMMKNBB-UHFFFAOYSA-N
MW175.20 g/mol
LogP-0.21
Rot. Bonds3

About 1-fluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol

1-fluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol (PubChem CID 131024825) has the molecular formula C8H14FNO2 and a molecular weight of 175.20 g/mol. Its IUPAC name is 1-fluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol.

Molecular Properties

Compound Name1-fluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol
PubChem CID131024825
Molecular FormulaC8H14FNO2
Molecular Weight175.20 g/mol
Exact Mass175.10
IUPAC Name1-fluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol
SMILESOC(CF)CN1CC2CC1CO2
InChIInChI=1S/C8H14FNO2/c9-2-7(11)3-10-4-8-1-6(10)5-12-8/h6-8,11H,1-5H2
InChIKeyYOWSGQBUMMKNBB-UHFFFAOYSA-N
XLogP-0.21
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.20
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol?
The IUPAC name of 1-fluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol (CID 131024825) is 1-fluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol.
What is the SMILES notation for 1-fluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol?
The canonical SMILES for 1-fluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol is OC(CF)CN1CC2CC1CO2.
What is the InChIKey of 1-fluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol?
The InChIKey is YOWSGQBUMMKNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2/c9-2-7(11)3-10-4-8-1-6(10)5-12-8/h6-8,11H,1-5H2.
What are the key properties of 1-fluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol?
1-fluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol has a molecular weight of 175.20 g/mol, XLogP of -0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-ol is sourced from PubChem (CID 131024825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).