N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C11H19F2NO — CID 115405846

IUPACN-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NCC(F)F)C2CCCOC21
InChIInChI=1S/C11H19F2NO/c1-11(2)9(14-6-8(12)13)7-4-3-5-15-10(7)11/h7-10,14H,3-6H2,1-2H3
InChIKeyPKRWYXVILJAEMI-UHFFFAOYSA-N
MW219.27 g/mol
LogP2.04
Rot. Bonds3

About N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 115405846) has the molecular formula C11H19F2NO and a molecular weight of 219.27 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID115405846
Molecular FormulaC11H19F2NO
Molecular Weight219.27 g/mol
Exact Mass219.14
IUPAC NameN-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCC1(C)C(NCC(F)F)C2CCCOC21
InChIInChI=1S/C11H19F2NO/c1-11(2)9(14-6-8(12)13)7-4-3-5-15-10(7)11/h7-10,14H,3-6H2,1-2H3
InChIKeyPKRWYXVILJAEMI-UHFFFAOYSA-N
XLogP2.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 115405846) is N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is CC1(C)C(NCC(F)F)C2CCCOC21.
What is the InChIKey of N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is PKRWYXVILJAEMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO/c1-11(2)9(14-6-8(12)13)7-4-3-5-15-10(7)11/h7-10,14H,3-6H2,1-2H3.
What are the key properties of N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 219.27 g/mol, XLogP of 2.04, 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)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 115405846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).