8-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane

C9H14F3N — CID 122462557

IUPAC8-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(C(F)(F)F)C2
InChIInChI=1S/C9H14F3N/c1-13-7-2-3-8(13)5-6(4-7)9(10,11)12/h6-8H,2-5H2,1H3
InChIKeyNZKGOVDFSZDXLD-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.42
Rot. Bonds

About 8-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane

8-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 122462557) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 8-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane
PubChem CID122462557
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name8-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane
SMILESCN1C2CCC1CC(C(F)(F)F)C2
InChIInChI=1S/C9H14F3N/c1-13-7-2-3-8(13)5-6(4-7)9(10,11)12/h6-8H,2-5H2,1H3
InChIKeyNZKGOVDFSZDXLD-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane (CID 122462557) is 8-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane is CN1C2CCC1CC(C(F)(F)F)C2.
What is the InChIKey of 8-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is NZKGOVDFSZDXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c1-13-7-2-3-8(13)5-6(4-7)9(10,11)12/h6-8H,2-5H2,1H3.
What are the key properties of 8-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane?
8-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 193.21 g/mol, XLogP of 2.42, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 122462557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).