2-(trifluoromethyl)bicyclo[2.2.2]octan-2-amine

C9H14F3N — CID 131064547

IUPAC2-(trifluoromethyl)bicyclo[2.2.2]octan-2-amine
SMILESNC1(C(F)(F)F)CC2CCC1CC2
InChIInChI=1S/C9H14F3N/c10-9(11,12)8(13)5-6-1-3-7(8)4-2-6/h6-7H,1-5,13H2
InChIKeyQUAMVPQDRPLRRA-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.46
Rot. Bonds

About 2-(trifluoromethyl)bicyclo[2.2.2]octan-2-amine

2-(trifluoromethyl)bicyclo[2.2.2]octan-2-amine (PubChem CID 131064547) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-(trifluoromethyl)bicyclo[2.2.2]octan-2-amine.

Molecular Properties

Compound Name2-(trifluoromethyl)bicyclo[2.2.2]octan-2-amine
PubChem CID131064547
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name2-(trifluoromethyl)bicyclo[2.2.2]octan-2-amine
SMILESNC1(C(F)(F)F)CC2CCC1CC2
InChIInChI=1S/C9H14F3N/c10-9(11,12)8(13)5-6-1-3-7(8)4-2-6/h6-7H,1-5,13H2
InChIKeyQUAMVPQDRPLRRA-UHFFFAOYSA-N
XLogP2.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(trifluoromethyl)bicyclo[2.2.2]octan-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 2-(trifluoromethyl)bicyclo[2.2.2]octan-2-amine?
The IUPAC name of 2-(trifluoromethyl)bicyclo[2.2.2]octan-2-amine (CID 131064547) is 2-(trifluoromethyl)bicyclo[2.2.2]octan-2-amine.
What is the SMILES notation for 2-(trifluoromethyl)bicyclo[2.2.2]octan-2-amine?
The canonical SMILES for 2-(trifluoromethyl)bicyclo[2.2.2]octan-2-amine is NC1(C(F)(F)F)CC2CCC1CC2.
What is the InChIKey of 2-(trifluoromethyl)bicyclo[2.2.2]octan-2-amine?
The InChIKey is QUAMVPQDRPLRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c10-9(11,12)8(13)5-6-1-3-7(8)4-2-6/h6-7H,1-5,13H2.
What are the key properties of 2-(trifluoromethyl)bicyclo[2.2.2]octan-2-amine?
2-(trifluoromethyl)bicyclo[2.2.2]octan-2-amine has a molecular weight of 193.21 g/mol, XLogP of 2.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)bicyclo[2.2.2]octan-2-amine is sourced from PubChem (CID 131064547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).