N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptan-2-amine

C8H13F2NO — CID 80720035

IUPACN-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESFC(F)CNC1CC2CCC1O2
InChIInChI=1S/C8H13F2NO/c9-8(10)4-11-6-3-5-1-2-7(6)12-5/h5-8,11H,1-4H2
InChIKeyHCUJEOCHIWVFDK-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.16
Rot. Bonds3

About N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptan-2-amine

N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptan-2-amine (PubChem CID 80720035) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptan-2-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
PubChem CID80720035
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC NameN-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptan-2-amine
SMILESFC(F)CNC1CC2CCC1O2
InChIInChI=1S/C8H13F2NO/c9-8(10)4-11-6-3-5-1-2-7(6)12-5/h5-8,11H,1-4H2
InChIKeyHCUJEOCHIWVFDK-UHFFFAOYSA-N
XLogP1.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The IUPAC name of N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptan-2-amine (CID 80720035) is N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptan-2-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptan-2-amine is FC(F)CNC1CC2CCC1O2.
What is the InChIKey of N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
The InChIKey is HCUJEOCHIWVFDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c9-8(10)4-11-6-3-5-1-2-7(6)12-5/h5-8,11H,1-4H2.
What are the key properties of N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptan-2-amine?
N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptan-2-amine has a molecular weight of 177.19 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-7-oxabicyclo[2.2.1]heptan-2-amine is sourced from PubChem (CID 80720035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).