6-[(2,2-difluoroethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C11H20F2N2O — CID 114948240

IUPAC6-[(2,2-difluoroethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C2OCCC2C1(N)CNCC(F)F
InChIInChI=1S/C11H20F2N2O/c1-10(2)9-7(3-4-16-9)11(10,14)6-15-5-8(12)13/h7-9,15H,3-6,14H2,1-2H3
InChIKeyRNGPFPPZKRGHBH-UHFFFAOYSA-N
MW234.29 g/mol
LogP0.98
Rot. Bonds4

About 6-[(2,2-difluoroethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

6-[(2,2-difluoroethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 114948240) has the molecular formula C11H20F2N2O and a molecular weight of 234.29 g/mol. Its IUPAC name is 6-[(2,2-difluoroethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name6-[(2,2-difluoroethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID114948240
Molecular FormulaC11H20F2N2O
Molecular Weight234.29 g/mol
Exact Mass234.15
IUPAC Name6-[(2,2-difluoroethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C2OCCC2C1(N)CNCC(F)F
InChIInChI=1S/C11H20F2N2O/c1-10(2)9-7(3-4-16-9)11(10,14)6-15-5-8(12)13/h7-9,15H,3-6,14H2,1-2H3
InChIKeyRNGPFPPZKRGHBH-UHFFFAOYSA-N
XLogP0.98
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,2-difluoroethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 6-[(2,2-difluoroethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 114948240) is 6-[(2,2-difluoroethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 6-[(2,2-difluoroethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 6-[(2,2-difluoroethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C2OCCC2C1(N)CNCC(F)F.
What is the InChIKey of 6-[(2,2-difluoroethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is RNGPFPPZKRGHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O/c1-10(2)9-7(3-4-16-9)11(10,14)6-15-5-8(12)13/h7-9,15H,3-6,14H2,1-2H3.
What are the key properties of 6-[(2,2-difluoroethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
6-[(2,2-difluoroethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 234.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,2-difluoroethylamino)methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 114948240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).