[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine

C11H12F3N — CID 81010497

IUPAC[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine
SMILESNCC1CCC1c1ccc(F)c(F)c1F
InChIInChI=1S/C11H12F3N/c12-9-4-3-8(10(13)11(9)14)7-2-1-6(7)5-15/h3-4,6-7H,1-2,5,15H2
InChIKeyWMHTXHBPGJHLKM-UHFFFAOYSA-N
MW215.22 g/mol
LogP2.56
Rot. Bonds2

About [2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine

[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine (PubChem CID 81010497) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is [2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine
PubChem CID81010497
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine
SMILESNCC1CCC1c1ccc(F)c(F)c1F
InChIInChI=1S/C11H12F3N/c12-9-4-3-8(10(13)11(9)14)7-2-1-6(7)5-15/h3-4,6-7H,1-2,5,15H2
InChIKeyWMHTXHBPGJHLKM-UHFFFAOYSA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine?
The IUPAC name of [2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine (CID 81010497) is [2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine.
What is the SMILES notation for [2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine?
The canonical SMILES for [2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine is NCC1CCC1c1ccc(F)c(F)c1F.
What is the InChIKey of [2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine?
The InChIKey is WMHTXHBPGJHLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N/c12-9-4-3-8(10(13)11(9)14)7-2-1-6(7)5-15/h3-4,6-7H,1-2,5,15H2.
What are the key properties of [2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine?
[2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine has a molecular weight of 215.22 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3,4-trifluorophenyl)cyclobutyl]methanamine is sourced from PubChem (CID 81010497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).