N-(1,1-difluoropropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine

C10H18F2N2 — CID 102867846

IUPACN-(1,1-difluoropropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(NC1CN2CCC1CC2)C(F)F
InChIInChI=1S/C10H18F2N2/c1-7(10(11)12)13-9-6-14-4-2-8(9)3-5-14/h7-10,13H,2-6H2,1H3
InChIKeyAUJAAEHZYHKDSF-UHFFFAOYSA-N
MW204.26 g/mol
LogP1.32
Rot. Bonds3

About N-(1,1-difluoropropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine

N-(1,1-difluoropropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine (PubChem CID 102867846) has the molecular formula C10H18F2N2 and a molecular weight of 204.26 g/mol. Its IUPAC name is N-(1,1-difluoropropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine.

Molecular Properties

Compound NameN-(1,1-difluoropropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
PubChem CID102867846
Molecular FormulaC10H18F2N2
Molecular Weight204.26 g/mol
Exact Mass204.14
IUPAC NameN-(1,1-difluoropropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
SMILESCC(NC1CN2CCC1CC2)C(F)F
InChIInChI=1S/C10H18F2N2/c1-7(10(11)12)13-9-6-14-4-2-8(9)3-5-14/h7-10,13H,2-6H2,1H3
InChIKeyAUJAAEHZYHKDSF-UHFFFAOYSA-N
XLogP1.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-difluoropropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The IUPAC name of N-(1,1-difluoropropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine (CID 102867846) is N-(1,1-difluoropropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine.
What is the SMILES notation for N-(1,1-difluoropropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The canonical SMILES for N-(1,1-difluoropropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine is CC(NC1CN2CCC1CC2)C(F)F.
What is the InChIKey of N-(1,1-difluoropropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
The InChIKey is AUJAAEHZYHKDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F2N2/c1-7(10(11)12)13-9-6-14-4-2-8(9)3-5-14/h7-10,13H,2-6H2,1H3.
What are the key properties of N-(1,1-difluoropropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine?
N-(1,1-difluoropropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine has a molecular weight of 204.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-difluoropropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine is sourced from PubChem (CID 102867846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).