2-[3-cyclobutyl-4-(trifluoromethyl)cyclohexyl]ethanamine

C13H22F3N — CID 162589807

IUPAC2-[3-cyclobutyl-4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESNCCC1CCC(C(F)(F)F)C(C2CCC2)C1
InChIInChI=1S/C13H22F3N/c14-13(15,16)12-5-4-9(6-7-17)8-11(12)10-2-1-3-10/h9-12H,1-8,17H2
InChIKeyLQEBTNBCAJMOBD-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.73
Rot. Bonds3

About 2-[3-cyclobutyl-4-(trifluoromethyl)cyclohexyl]ethanamine

2-[3-cyclobutyl-4-(trifluoromethyl)cyclohexyl]ethanamine (PubChem CID 162589807) has the molecular formula C13H22F3N and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-[3-cyclobutyl-4-(trifluoromethyl)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-[3-cyclobutyl-4-(trifluoromethyl)cyclohexyl]ethanamine
PubChem CID162589807
Molecular FormulaC13H22F3N
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC Name2-[3-cyclobutyl-4-(trifluoromethyl)cyclohexyl]ethanamine
SMILESNCCC1CCC(C(F)(F)F)C(C2CCC2)C1
InChIInChI=1S/C13H22F3N/c14-13(15,16)12-5-4-9(6-7-17)8-11(12)10-2-1-3-10/h9-12H,1-8,17H2
InChIKeyLQEBTNBCAJMOBD-UHFFFAOYSA-N
XLogP3.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclobutyl-4-(trifluoromethyl)cyclohexyl]ethanamine?
The IUPAC name of 2-[3-cyclobutyl-4-(trifluoromethyl)cyclohexyl]ethanamine (CID 162589807) is 2-[3-cyclobutyl-4-(trifluoromethyl)cyclohexyl]ethanamine.
What is the SMILES notation for 2-[3-cyclobutyl-4-(trifluoromethyl)cyclohexyl]ethanamine?
The canonical SMILES for 2-[3-cyclobutyl-4-(trifluoromethyl)cyclohexyl]ethanamine is NCCC1CCC(C(F)(F)F)C(C2CCC2)C1.
What is the InChIKey of 2-[3-cyclobutyl-4-(trifluoromethyl)cyclohexyl]ethanamine?
The InChIKey is LQEBTNBCAJMOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N/c14-13(15,16)12-5-4-9(6-7-17)8-11(12)10-2-1-3-10/h9-12H,1-8,17H2.
What are the key properties of 2-[3-cyclobutyl-4-(trifluoromethyl)cyclohexyl]ethanamine?
2-[3-cyclobutyl-4-(trifluoromethyl)cyclohexyl]ethanamine has a molecular weight of 249.32 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclobutyl-4-(trifluoromethyl)cyclohexyl]ethanamine is sourced from PubChem (CID 162589807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).