8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane

C11H18F3N — CID 122451375

IUPAC8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CC(C(F)(F)F)C2
InChIInChI=1S/C11H18F3N/c1-7(2)15-9-3-4-10(15)6-8(5-9)11(12,13)14/h7-10H,3-6H2,1-2H3
InChIKeyOWBFWMUJPCWNFQ-UHFFFAOYSA-N
MW221.27 g/mol
LogP3.20
Rot. Bonds1

About 8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane

8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 122451375) has the molecular formula C11H18F3N and a molecular weight of 221.27 g/mol. Its IUPAC name is 8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane
PubChem CID122451375
Molecular FormulaC11H18F3N
Molecular Weight221.27 g/mol
Exact Mass221.14
IUPAC Name8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane
SMILESCC(C)N1C2CCC1CC(C(F)(F)F)C2
InChIInChI=1S/C11H18F3N/c1-7(2)15-9-3-4-10(15)6-8(5-9)11(12,13)14/h7-10H,3-6H2,1-2H3
InChIKeyOWBFWMUJPCWNFQ-UHFFFAOYSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.27
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Methyldecahydro-1 h-cyclohepta[b]pyridine
CID 18711517
Methyl tropane
CID 69546563
(1R,5S)-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 11127723
3-Cyano-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane
CID 15430828
3-Cyano-8-(2,2-difluoroethyl)-8-azabicyclo-[3.2.1]octane
CID 53952369
2-Methyl-8-(2,2,2-trifluoroethyl)-8-azabicyclo[3.2.1]octane-3-carbonitrile
CID 57013979
3,3-Difluoro-8-propan-2-yl-8-azabicyclo[3.2.1]octane
CID 58074467
(2R)-1-(2,2-difluoroethyl)-2-(2-methylpropyl)pyrrolidine
CID 58279608
(2R)-1-ethyl-4,4-difluoro-2-(2-methylpropyl)pyrrolidine
CID 58279609
(2R)-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 58279613
(3R)-5,5-difluoro-3-methyl-2-propan-2-yl-2-azabicyclo[2.2.1]heptane
CID 59074762
2-Propan-2-yl-1-(2,2,2-trifluoroethyl)piperidine
CID 59556506

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane (CID 122451375) is 8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane is CC(C)N1C2CCC1CC(C(F)(F)F)C2.
What is the InChIKey of 8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is OWBFWMUJPCWNFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N/c1-7(2)15-9-3-4-10(15)6-8(5-9)11(12,13)14/h7-10H,3-6H2,1-2H3.
What are the key properties of 8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane?
8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 221.27 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yl-3-(trifluoromethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 122451375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).