2,2-difluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine

C9H16F2N2O — CID 165462662

IUPAC2,2-difluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine
SMILESNCC(F)(F)CN1C2CCC1COC2
InChIInChI=1S/C9H16F2N2O/c10-9(11,5-12)6-13-7-1-2-8(13)4-14-3-7/h7-8H,1-6,12H2
InChIKeyBSXAGZBZGFNPEX-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.44
Rot. Bonds3

About 2,2-difluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine

2,2-difluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine (PubChem CID 165462662) has the molecular formula C9H16F2N2O and a molecular weight of 206.24 g/mol. Its IUPAC name is 2,2-difluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine
PubChem CID165462662
Molecular FormulaC9H16F2N2O
Molecular Weight206.24 g/mol
Exact Mass206.12
IUPAC Name2,2-difluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine
SMILESNCC(F)(F)CN1C2CCC1COC2
InChIInChI=1S/C9H16F2N2O/c10-9(11,5-12)6-13-7-1-2-8(13)4-14-3-7/h7-8H,1-6,12H2
InChIKeyBSXAGZBZGFNPEX-UHFFFAOYSA-N
XLogP0.44
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine?
The IUPAC name of 2,2-difluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine (CID 165462662) is 2,2-difluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine?
The canonical SMILES for 2,2-difluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine is NCC(F)(F)CN1C2CCC1COC2.
What is the InChIKey of 2,2-difluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine?
The InChIKey is BSXAGZBZGFNPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2O/c10-9(11,5-12)6-13-7-1-2-8(13)4-14-3-7/h7-8H,1-6,12H2.
What are the key properties of 2,2-difluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine?
2,2-difluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine has a molecular weight of 206.24 g/mol, XLogP of 0.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine is sourced from PubChem (CID 165462662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).