[7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-yl]azanium

C8H16FN2+ — CID 163667439

IUPAC[7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-yl]azanium
SMILESCN1CC2CC(CF)C2([NH3+])C1
InChIInChI=1S/C8H15FN2/c1-11-4-7-2-6(3-9)8(7,10)5-11/h6-7H,2-5,10H2,1H3/p+1
InChIKeyIZRWMJQVPHIROU-UHFFFAOYSA-O
MW159.23 g/mol
LogP-0.48
Rot. Bonds1

About [7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-yl]azanium

[7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-yl]azanium (PubChem CID 163667439) has the molecular formula C8H16FN2+ and a molecular weight of 159.23 g/mol. Its IUPAC name is [7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-yl]azanium.

Molecular Properties

Compound Name[7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-yl]azanium
PubChem CID163667439
Molecular FormulaC8H16FN2+
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name[7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-yl]azanium
SMILESCN1CC2CC(CF)C2([NH3+])C1
InChIInChI=1S/C8H15FN2/c1-11-4-7-2-6(3-9)8(7,10)5-11/h6-7H,2-5,10H2,1H3/p+1
InChIKeyIZRWMJQVPHIROU-UHFFFAOYSA-O
XLogP-0.48
TPSA30.88 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R,5R,7S)-7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172507
(1S,5R,6S)-6-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172512
(1S,5R,6S)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172525
(1S,5R)-6,6-difluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172528
(1S,5R,6R)-6-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172530
(1S,5R,6R)-6-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172533
(1R,5S)-5-fluoro-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 69172534
(1S,5R,6S)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine
CID 89257349
(1S,5R,6R)-6-(fluoromethyl)-3-azabicyclo[3.2.0]heptan-1-amine
CID 90985743
(1S,5S,6R)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine
CID 91483246
(1S,5S,6S)-6-fluoro-3-azabicyclo[3.2.0]heptan-1-amine
CID 123850624
(1R,5R)-7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-amine
CID 143715110

Frequently Asked Questions

What is the IUPAC name of [7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-yl]azanium?
The IUPAC name of [7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-yl]azanium (CID 163667439) is [7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-yl]azanium.
What is the SMILES notation for [7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-yl]azanium?
The canonical SMILES for [7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-yl]azanium is CN1CC2CC(CF)C2([NH3+])C1.
What is the InChIKey of [7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-yl]azanium?
The InChIKey is IZRWMJQVPHIROU-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15FN2/c1-11-4-7-2-6(3-9)8(7,10)5-11/h6-7H,2-5,10H2,1H3/p+1.
What are the key properties of [7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-yl]azanium?
[7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-yl]azanium has a molecular weight of 159.23 g/mol, XLogP of -0.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(fluoromethyl)-3-methyl-3-azabicyclo[3.2.0]heptan-1-yl]azanium is sourced from PubChem (CID 163667439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).