7,7-difluoro-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane

C8H13F2NO — CID 137453760

IUPAC7,7-difluoro-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane
SMILESCN1C2COCC1CC(F)(F)C2
InChIInChI=1S/C8H13F2NO/c1-11-6-2-8(9,10)3-7(11)5-12-4-6/h6-7H,2-5H2,1H3
InChIKeyAJXIOWZDBOCIOL-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.11
Rot. Bonds

About 7,7-difluoro-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane

7,7-difluoro-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane (PubChem CID 137453760) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 7,7-difluoro-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name7,7-difluoro-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane
PubChem CID137453760
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name7,7-difluoro-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane
SMILESCN1C2COCC1CC(F)(F)C2
InChIInChI=1S/C8H13F2NO/c1-11-6-2-8(9,10)3-7(11)5-12-4-6/h6-7H,2-5H2,1H3
InChIKeyAJXIOWZDBOCIOL-UHFFFAOYSA-N
XLogP1.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7,7-Difluoro-3-oxa-9-azabicyclo[3.3.1]nonane
CID 76223012
9-(Trifluoromethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 89943497
7-Methyl-9-(2,2,2-trifluoroethyl)-3-oxa-9-azabicyclo[3.3.1]nonane
CID 90446334
7-Methyl-9-(1,1,2,2,2-pentafluoroethyl)-3-oxa-9-azabicyclo[3.3.1]nonane
CID 117608591
7-Ethyl-9-(1,1,2,2,2-pentafluoroethyl)-3-oxa-9-azabicyclo[3.3.1]nonane
CID 117608618
9-(2-Fluoroethyl)-7-propan-2-yloxy-3-oxa-9-azabicyclo[3.3.1]nonane
CID 118442210
N-propan-2-yl-9-(trifluoromethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 118442258
9-(2-Fluoroethyl)-7-methoxy-3-oxa-9-azabicyclo[3.3.1]nonane
CID 118447126
N-methyl-9-(trifluoromethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 118447155
7-Pentan-2-yl-9-(2,2,2-trifluoroethyl)-3-oxa-9-azabicyclo[3.3.1]nonane
CID 130457780
N-pentan-3-yl-9-(trifluoromethyl)-3-oxa-9-azabicyclo[3.3.1]nonan-7-amine
CID 134345477
7-Butan-2-yloxy-9-(2-fluoroethyl)-3-oxa-9-azabicyclo[3.3.1]nonane
CID 134345573

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane?
The IUPAC name of 7,7-difluoro-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane (CID 137453760) is 7,7-difluoro-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane.
What is the SMILES notation for 7,7-difluoro-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane?
The canonical SMILES for 7,7-difluoro-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane is CN1C2COCC1CC(F)(F)C2.
What is the InChIKey of 7,7-difluoro-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane?
The InChIKey is AJXIOWZDBOCIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-11-6-2-8(9,10)3-7(11)5-12-4-6/h6-7H,2-5H2,1H3.
What are the key properties of 7,7-difluoro-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane?
7,7-difluoro-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane has a molecular weight of 177.19 g/mol, XLogP of 1.11, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-9-methyl-3-oxa-9-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 137453760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).