6-(2,2-difluoroethyl)-6-azabicyclo[3.2.0]heptane

C8H13F2N — CID 130685379

IUPAC6-(2,2-difluoroethyl)-6-azabicyclo[3.2.0]heptane
SMILESFC(F)CN1CC2CCCC21
InChIInChI=1S/C8H13F2N/c9-8(10)5-11-4-6-2-1-3-7(6)11/h6-8H,1-5H2
InChIKeyKBZJXFUSYOIXDD-UHFFFAOYSA-N
MW161.19 g/mol
LogP1.74
Rot. Bonds2

About 6-(2,2-difluoroethyl)-6-azabicyclo[3.2.0]heptane

6-(2,2-difluoroethyl)-6-azabicyclo[3.2.0]heptane (PubChem CID 130685379) has the molecular formula C8H13F2N and a molecular weight of 161.19 g/mol. Its IUPAC name is 6-(2,2-difluoroethyl)-6-azabicyclo[3.2.0]heptane.

Molecular Properties

Compound Name6-(2,2-difluoroethyl)-6-azabicyclo[3.2.0]heptane
PubChem CID130685379
Molecular FormulaC8H13F2N
Molecular Weight161.19 g/mol
Exact Mass161.10
IUPAC Name6-(2,2-difluoroethyl)-6-azabicyclo[3.2.0]heptane
SMILESFC(F)CN1CC2CCCC21
InChIInChI=1S/C8H13F2N/c9-8(10)5-11-4-6-2-1-3-7(6)11/h6-8H,1-5H2
InChIKeyKBZJXFUSYOIXDD-UHFFFAOYSA-N
XLogP1.74
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,2-difluoroethyl)-2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridine
CID 130841053
(2R)-1-(6-azabicyclo[3.2.0]heptan-6-yl)propan-2-amine;dihydrochloride
CID 122669519
6-ethyl-6-azabicyclo[3.2.0]heptane
CID 70673038
(1R,6R)-7-(2-fluoroethyl)-7-azabicyclo[4.2.0]octane
CID 130978927
2-(2,2-difluoroethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 130628620
(1R,6R)-7-ethyl-7-azabicyclo[4.2.0]octane
CID 130709044
2-(6-azabicyclo[3.2.0]heptan-6-yl)acetic acid
CID 127019883
(4aR,7aS)-4-(2,2-difluoroethyl)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazine
CID 131038084
9-propyl-9-azabicyclo[6.2.0]decane
CID 126990839
3-(6-azabicyclo[3.2.0]heptan-6-yl)propanoic acid;hydrochloride
CID 130695692
9-prop-2-ynyl-9-azabicyclo[6.2.0]decane
CID 130688640
4-(2,2-difluoroethyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoxaline
CID 130581237

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethyl)-6-azabicyclo[3.2.0]heptane?
The IUPAC name of 6-(2,2-difluoroethyl)-6-azabicyclo[3.2.0]heptane (CID 130685379) is 6-(2,2-difluoroethyl)-6-azabicyclo[3.2.0]heptane.
What is the SMILES notation for 6-(2,2-difluoroethyl)-6-azabicyclo[3.2.0]heptane?
The canonical SMILES for 6-(2,2-difluoroethyl)-6-azabicyclo[3.2.0]heptane is FC(F)CN1CC2CCCC21.
What is the InChIKey of 6-(2,2-difluoroethyl)-6-azabicyclo[3.2.0]heptane?
The InChIKey is KBZJXFUSYOIXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2N/c9-8(10)5-11-4-6-2-1-3-7(6)11/h6-8H,1-5H2.
What are the key properties of 6-(2,2-difluoroethyl)-6-azabicyclo[3.2.0]heptane?
6-(2,2-difluoroethyl)-6-azabicyclo[3.2.0]heptane has a molecular weight of 161.19 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethyl)-6-azabicyclo[3.2.0]heptane is sourced from PubChem (CID 130685379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).