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

C7H11F2N — CID 50989410

IUPAC8,8-difluoro-3-azabicyclo[3.2.1]octane
SMILESFC1(F)C2CCC1CNC2
InChIInChI=1S/C7H11F2N/c8-7(9)5-1-2-6(7)4-10-3-5/h5-6,10H,1-4H2
InChIKeyARZGRQADWCHYAO-UHFFFAOYSA-N
MW147.17 g/mol
LogP1.25
Rot. Bonds

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

8,8-difluoro-3-azabicyclo[3.2.1]octane (PubChem CID 50989410) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is 8,8-difluoro-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8,8-difluoro-3-azabicyclo[3.2.1]octane
PubChem CID50989410
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC Name8,8-difluoro-3-azabicyclo[3.2.1]octane
SMILESFC1(F)C2CCC1CNC2
InChIInChI=1S/C7H11F2N/c8-7(9)5-1-2-6(7)4-10-3-5/h5-6,10H,1-4H2
InChIKeyARZGRQADWCHYAO-UHFFFAOYSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-Azabicyclo(3.2.1)octane
CID 12313490
3-Azabicyclo[3.2.1]octane hydrochloride
CID 22923661
7,7-Difluoro-3-azabicyclo[4.1.0]heptane hydrochloride
CID 71656098
8,8-Difluoro-3-azabicyclo(3.2.1)octane hydrochloride
CID 91663918
7,7-Difluoro-3-azabicyclo[4.1.0]heptane
CID 50989413
Hexahydro-4-(trifluoromethyl)-1H-azepine
CID 55296065
(4R)-4-(trifluoromethyl)azepane
CID 95003247
(1R,5S)-8,8-difluoro-3-azabicyclo[3.2.1]octane
CID 52420841
3-(2,2,2-Trifluoroethyl)piperidine
CID 71757581
8-Fluoro-3-azabicyclo[3.2.1]octane
CID 72207530
3-(1,2,2-Trifluoroethyl)piperidine
CID 112565338
(1R,5R)-N-(3,3,3-trifluoropropyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 129246962

Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-3-azabicyclo[3.2.1]octane?
The IUPAC name of 8,8-difluoro-3-azabicyclo[3.2.1]octane (CID 50989410) is 8,8-difluoro-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8,8-difluoro-3-azabicyclo[3.2.1]octane?
The canonical SMILES for 8,8-difluoro-3-azabicyclo[3.2.1]octane is FC1(F)C2CCC1CNC2.
What is the InChIKey of 8,8-difluoro-3-azabicyclo[3.2.1]octane?
The InChIKey is ARZGRQADWCHYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N/c8-7(9)5-1-2-6(7)4-10-3-5/h5-6,10H,1-4H2.
What are the key properties of 8,8-difluoro-3-azabicyclo[3.2.1]octane?
8,8-difluoro-3-azabicyclo[3.2.1]octane has a molecular weight of 147.17 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 50989410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).