N-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

C12H20F3N — CID 43223303

IUPACN-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESFC(F)(F)CNC1CCC2CCCCC2C1
InChIInChI=1S/C12H20F3N/c13-12(14,15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h9-11,16H,1-8H2
InChIKeyCCIJSISQJZLLRY-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.50
Rot. Bonds2

About N-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine

N-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (PubChem CID 43223303) has the molecular formula C12H20F3N and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.

Molecular Properties

Compound NameN-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
PubChem CID43223303
Molecular FormulaC12H20F3N
Molecular Weight235.29 g/mol
Exact Mass235.15
IUPAC NameN-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine
SMILESFC(F)(F)CNC1CCC2CCCCC2C1
InChIInChI=1S/C12H20F3N/c13-12(14,15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h9-11,16H,1-8H2
InChIKeyCCIJSISQJZLLRY-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The IUPAC name of N-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine (CID 43223303) is N-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine.
What is the SMILES notation for N-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The canonical SMILES for N-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is FC(F)(F)CNC1CCC2CCCCC2C1.
What is the InChIKey of N-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
The InChIKey is CCIJSISQJZLLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N/c13-12(14,15)8-16-11-6-5-9-3-1-2-4-10(9)7-11/h9-11,16H,1-8H2.
What are the key properties of N-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine?
N-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine has a molecular weight of 235.29 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trifluoroethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-amine is sourced from PubChem (CID 43223303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).