3,3-difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol

C9H15F2NO2 — CID 129320108

IUPAC3,3-difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol
SMILESOCCC(F)(F)N1CC2CCC(C1)O2
InChIInChI=1S/C9H15F2NO2/c10-9(11,3-4-13)12-5-7-1-2-8(6-12)14-7/h7-8,13H,1-6H2
InChIKeyUUDZHOIEKVDKRU-UHFFFAOYSA-N
MW207.22 g/mol
LogP0.82
Rot. Bonds3

About 3,3-difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol

3,3-difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol (PubChem CID 129320108) has the molecular formula C9H15F2NO2 and a molecular weight of 207.22 g/mol. Its IUPAC name is 3,3-difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol
PubChem CID129320108
Molecular FormulaC9H15F2NO2
Molecular Weight207.22 g/mol
Exact Mass207.11
IUPAC Name3,3-difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol
SMILESOCCC(F)(F)N1CC2CCC(C1)O2
InChIInChI=1S/C9H15F2NO2/c10-9(11,3-4-13)12-5-7-1-2-8(6-12)14-7/h7-8,13H,1-6H2
InChIKeyUUDZHOIEKVDKRU-UHFFFAOYSA-N
XLogP0.82
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol?
The IUPAC name of 3,3-difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol (CID 129320108) is 3,3-difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol.
What is the SMILES notation for 3,3-difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol?
The canonical SMILES for 3,3-difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol is OCCC(F)(F)N1CC2CCC(C1)O2.
What is the InChIKey of 3,3-difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol?
The InChIKey is UUDZHOIEKVDKRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO2/c10-9(11,3-4-13)12-5-7-1-2-8(6-12)14-7/h7-8,13H,1-6H2.
What are the key properties of 3,3-difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol?
3,3-difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol has a molecular weight of 207.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-ol is sourced from PubChem (CID 129320108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).