3,3-difluoro-8-azabicyclo[3.2.1]octane;hydrochloride

C7H12ClF2N — CID 57416927

IUPAC3,3-difluoro-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.FC1(F)CC2CCC(C1)N2
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)3-5-1-2-6(4-7)10-5;/h5-6,10H,1-4H2;1H
InChIKeyNGTCPVASXFKEQR-UHFFFAOYSA-N
MW183.63 g/mol
LogP1.96
Rot. Bonds

About 3,3-difluoro-8-azabicyclo[3.2.1]octane;hydrochloride

3,3-difluoro-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 57416927) has the molecular formula C7H12ClF2N and a molecular weight of 183.63 g/mol. Its IUPAC name is 3,3-difluoro-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name3,3-difluoro-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID57416927
Molecular FormulaC7H12ClF2N
Molecular Weight183.63 g/mol
Exact Mass183.06
IUPAC Name3,3-difluoro-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCl.FC1(F)CC2CCC(C1)N2
InChIInChI=1S/C7H11F2N.ClH/c8-7(9)3-5-1-2-6(4-7)10-5;/h5-6,10H,1-4H2;1H
InChIKeyNGTCPVASXFKEQR-UHFFFAOYSA-N
XLogP1.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.63
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 3,3-difluoro-8-azabicyclo[3.2.1]octane;hydrochloride (CID 57416927) is 3,3-difluoro-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 3,3-difluoro-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 3,3-difluoro-8-azabicyclo[3.2.1]octane;hydrochloride is Cl.FC1(F)CC2CCC(C1)N2.
What is the InChIKey of 3,3-difluoro-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is NGTCPVASXFKEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N.ClH/c8-7(9)3-5-1-2-6(4-7)10-5;/h5-6,10H,1-4H2;1H.
What are the key properties of 3,3-difluoro-8-azabicyclo[3.2.1]octane;hydrochloride?
3,3-difluoro-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 183.63 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 57416927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).