2-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane

C7H12F2N2 — CID 126980121

IUPAC2-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESFC(F)CN1CC2CC1CN2
InChIInChI=1S/C7H12F2N2/c8-7(9)4-11-3-5-1-6(11)2-10-5/h5-7,10H,1-4H2
InChIKeyMBUDOQLVBKLJBO-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.30
Rot. Bonds2

About 2-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane

2-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 126980121) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID126980121
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name2-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESFC(F)CN1CC2CC1CN2
InChIInChI=1S/C7H12F2N2/c8-7(9)4-11-3-5-1-6(11)2-10-5/h5-7,10H,1-4H2
InChIKeyMBUDOQLVBKLJBO-UHFFFAOYSA-N
XLogP0.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane (CID 126980121) is 2-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane is FC(F)CN1CC2CC1CN2.
What is the InChIKey of 2-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is MBUDOQLVBKLJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2/c8-7(9)4-11-3-5-1-6(11)2-10-5/h5-7,10H,1-4H2.
What are the key properties of 2-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane?
2-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 162.18 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 126980121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).