8,8-difluoro-6-oxa-3-azabicyclo[3.2.1]octane

C6H9F2NO — CID 105429248

IUPAC8,8-difluoro-6-oxa-3-azabicyclo[3.2.1]octane
SMILESFC1(F)C2CNCC1OC2
InChIInChI=1S/C6H9F2NO/c7-6(8)4-1-9-2-5(6)10-3-4/h4-5,9H,1-3H2
InChIKeyCCUDNFAMQPNLEI-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.24
Rot. Bonds

About 8,8-difluoro-6-oxa-3-azabicyclo[3.2.1]octane

8,8-difluoro-6-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 105429248) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 8,8-difluoro-6-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8,8-difluoro-6-oxa-3-azabicyclo[3.2.1]octane
PubChem CID105429248
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name8,8-difluoro-6-oxa-3-azabicyclo[3.2.1]octane
SMILESFC1(F)C2CNCC1OC2
InChIInChI=1S/C6H9F2NO/c7-6(8)4-1-9-2-5(6)10-3-4/h4-5,9H,1-3H2
InChIKeyCCUDNFAMQPNLEI-UHFFFAOYSA-N
XLogP0.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Oxa-3-azabicyclo(3.2.1)octane hydrochloride
CID 75421689
1-(Fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride
CID 170913046
1-Methyl-6-oxa-3-azabicyclo[3.2.1]octane;hydrochloride
CID 177801935
6-Oxa-3-azabicyclo[3.2.1]octane
CID 54594726
4-Fluoro-3-oxa-6-azabicyclo[3.2.1]octane
CID 177200710
8-Fluoro-6-oxa-3-azabicyclo[3.2.1]octane
CID 105427579
8-Fluoro-8-methyl-6-oxa-3-azabicyclo[3.2.1]octane
CID 105428765
3-(2,2-Difluoroethyl)-6-oxa-3-azabicyclo[3.2.1]octane
CID 130649689
1-(Fluoromethyl)-6-oxa-3-azabicyclo[3.2.1]octane
CID 170913047
(1S,5R)-6-oxa-3-azabicyclo[3.2.1]octane
CID 95241031
(1R,5S)-6-oxa-3-azabicyclo[3.2.1]octane
CID 95241032
6-Oxa-3-azabicyclo[3.2.1]octan-8-amine
CID 166797050

Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-6-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of 8,8-difluoro-6-oxa-3-azabicyclo[3.2.1]octane (CID 105429248) is 8,8-difluoro-6-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8,8-difluoro-6-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 8,8-difluoro-6-oxa-3-azabicyclo[3.2.1]octane is FC1(F)C2CNCC1OC2.
What is the InChIKey of 8,8-difluoro-6-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is CCUDNFAMQPNLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)4-1-9-2-5(6)10-3-4/h4-5,9H,1-3H2.
What are the key properties of 8,8-difluoro-6-oxa-3-azabicyclo[3.2.1]octane?
8,8-difluoro-6-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 149.14 g/mol, XLogP of 0.24, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-6-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 105429248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).