7,7-difluoro-2-oxa-5-azabicyclo[4.2.0]octane

C6H9F2NO — CID 123311526

IUPAC7,7-difluoro-2-oxa-5-azabicyclo[4.2.0]octane
SMILESFC1(F)CC2OCCNC21
InChIInChI=1S/C6H9F2NO/c7-6(8)3-4-5(6)9-1-2-10-4/h4-5,9H,1-3H2
InChIKeyPNJIKMXCYWRQAZ-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.38
Rot. Bonds

About 7,7-difluoro-2-oxa-5-azabicyclo[4.2.0]octane

7,7-difluoro-2-oxa-5-azabicyclo[4.2.0]octane (PubChem CID 123311526) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 7,7-difluoro-2-oxa-5-azabicyclo[4.2.0]octane.

Molecular Properties

Compound Name7,7-difluoro-2-oxa-5-azabicyclo[4.2.0]octane
PubChem CID123311526
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name7,7-difluoro-2-oxa-5-azabicyclo[4.2.0]octane
SMILESFC1(F)CC2OCCNC21
InChIInChI=1S/C6H9F2NO/c7-6(8)3-4-5(6)9-1-2-10-4/h4-5,9H,1-3H2
InChIKeyPNJIKMXCYWRQAZ-UHFFFAOYSA-N
XLogP0.38
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 ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,6R)-7,7-difluoro-2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride
CID 170898010
(4aS,8aR)-5,5-dimethyl-2,3,4,4a,6,7,8,8a-octahydrobenzo[b][1,4]oxazine
CID 178190690
(6R)-2-oxa-5-azabicyclo[4.1.0]heptane
CID 174100018
(4aS,9aS)-2,3,4,4a,5,6,7,8,9,9a-decahydrocyclohepta[b][1,4]oxazine
CID 92720099
2-oxa-5-azabicyclo[4.1.0]heptane;hydrochloride
CID 54595647
6-fluoro-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b][1,4]oxazine
CID 90236159
(4aS,7aR)-3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride
CID 146154961
(4aS,7aR)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b][1,4]oxazine;dihydrochloride
CID 22857293
3,4,4a,5,7,7a-hexahydro-2H-furo[3,4-b][1,4]oxazine;hydrochloride
CID 77232572
(4aR)-2,3,4a,5,6,7,8,8a-octahydro-1H-pyrido[3,4-b][1,4]oxazine
CID 134179838
(2R)-1,3-oxazolidine-2-carboxylic acid
CID 69270912
ethane;6-propan-2-yl-3,4,4a,5,7,7a-hexahydro-2H-pyrrolo[3,4-b][1,4]oxazine
CID 177206108

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-2-oxa-5-azabicyclo[4.2.0]octane?
The IUPAC name of 7,7-difluoro-2-oxa-5-azabicyclo[4.2.0]octane (CID 123311526) is 7,7-difluoro-2-oxa-5-azabicyclo[4.2.0]octane.
What is the SMILES notation for 7,7-difluoro-2-oxa-5-azabicyclo[4.2.0]octane?
The canonical SMILES for 7,7-difluoro-2-oxa-5-azabicyclo[4.2.0]octane is FC1(F)CC2OCCNC21.
What is the InChIKey of 7,7-difluoro-2-oxa-5-azabicyclo[4.2.0]octane?
The InChIKey is PNJIKMXCYWRQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)3-4-5(6)9-1-2-10-4/h4-5,9H,1-3H2.
What are the key properties of 7,7-difluoro-2-oxa-5-azabicyclo[4.2.0]octane?
7,7-difluoro-2-oxa-5-azabicyclo[4.2.0]octane has a molecular weight of 149.14 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-2-oxa-5-azabicyclo[4.2.0]octane is sourced from PubChem (CID 123311526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).