[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine

C12H11F3N2 — CID 84629640

IUPAC[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine
SMILESNCc1c(C(F)(F)F)n2c3c(cccc13)CC2
InChIInChI=1S/C12H11F3N2/c13-12(14,15)11-9(6-16)8-3-1-2-7-4-5-17(11)10(7)8/h1-3H,4-6,16H2
InChIKeyGXAUKZHPVSETOI-UHFFFAOYSA-N
MW240.23 g/mol
LogP2.67
Rot. Bonds1

About [3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine

[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine (PubChem CID 84629640) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is [3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine.

Molecular Properties

Compound Name[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine
PubChem CID84629640
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine
SMILESNCc1c(C(F)(F)F)n2c3c(cccc13)CC2
InChIInChI=1S/C12H11F3N2/c13-12(14,15)11-9(6-16)8-3-1-2-7-4-5-17(11)10(7)8/h1-3H,4-6,16H2
InChIKeyGXAUKZHPVSETOI-UHFFFAOYSA-N
XLogP2.67
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine
CID 84635166
3-(3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl)propan-1-amine
CID 3737960
[7-ethyl-1-methyl-2-(trifluoromethyl)indol-3-yl]methanamine
CID 84635921
2-benzyl-3-(trifluoromethyl)-1-azatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraene
CID 71715041
2,3-dimethyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
CID 598481
3-methyl-2-(piperazin-1-ylmethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene
CID 84635796
3-(2-bromoethyl)-2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene
CID 10378814
3-methyl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene-2-carboxylic acid
CID 117275526
[2-fluoro-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)phenyl]methanamine
CID 79516544
2-(2-methyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)acetonitrile
CID 116983839
2-propan-2-yl-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraene-3-carboxylic acid
CID 84625862
1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-14-ylmethanamine
CID 84629848

Frequently Asked Questions

What is the IUPAC name of [3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine?
The IUPAC name of [3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine (CID 84629640) is [3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine.
What is the SMILES notation for [3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine?
The canonical SMILES for [3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine is NCc1c(C(F)(F)F)n2c3c(cccc13)CC2.
What is the InChIKey of [3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine?
The InChIKey is GXAUKZHPVSETOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c13-12(14,15)11-9(6-16)8-3-1-2-7-4-5-17(11)10(7)8/h1-3H,4-6,16H2.
What are the key properties of [3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine?
[3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine has a molecular weight of 240.23 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(trifluoromethyl)-4-azatricyclo[5.3.1.04,11]undeca-1(10),2,7(11),8-tetraen-2-yl]methanamine is sourced from PubChem (CID 84629640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).