cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine

C12H14F3N — CID 64986967

IUPACcyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccccc1C(F)(F)F)C1CCC1
InChIInChI=1S/C12H14F3N/c13-12(14,15)10-7-2-1-6-9(10)11(16)8-4-3-5-8/h1-2,6-8,11H,3-5,16H2
InChIKeyXQBXKSPBFMCQOA-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.51
Rot. Bonds2

About cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine

cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 64986967) has the molecular formula C12H14F3N and a molecular weight of 229.25 g/mol. Its IUPAC name is cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Namecyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
PubChem CID64986967
Molecular FormulaC12H14F3N
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Namecyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
SMILESNC(c1ccccc1C(F)(F)F)C1CCC1
InChIInChI=1S/C12H14F3N/c13-12(14,15)10-7-2-1-6-9(10)11(16)8-4-3-5-8/h1-2,6-8,11H,3-5,16H2
InChIKeyXQBXKSPBFMCQOA-UHFFFAOYSA-N
XLogP3.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine (CID 64986967) is cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine is NC(c1ccccc1C(F)(F)F)C1CCC1.
What is the InChIKey of cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine?
The InChIKey is XQBXKSPBFMCQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N/c13-12(14,15)10-7-2-1-6-9(10)11(16)8-4-3-5-8/h1-2,6-8,11H,3-5,16H2.
What are the key properties of cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine?
cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 229.25 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 64986967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).