[1-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine

C11H13F3N2 — CID 115008718

IUPAC[1-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine
SMILESNCC1(c2ncccc2C(F)(F)F)CCC1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)8-3-1-6-16-9(8)10(7-15)4-2-5-10/h1,3,6H,2,4-5,7,15H2
InChIKeyLGIPWJSITYEWGF-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.48
Rot. Bonds2

About [1-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine

[1-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine (PubChem CID 115008718) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is [1-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine
PubChem CID115008718
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC Name[1-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine
SMILESNCC1(c2ncccc2C(F)(F)F)CCC1
InChIInChI=1S/C11H13F3N2/c12-11(13,14)8-3-1-6-16-9(8)10(7-15)4-2-5-10/h1,3,6H,2,4-5,7,15H2
InChIKeyLGIPWJSITYEWGF-UHFFFAOYSA-N
XLogP2.48
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine?
The IUPAC name of [1-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine (CID 115008718) is [1-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine.
What is the SMILES notation for [1-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine?
The canonical SMILES for [1-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine is NCC1(c2ncccc2C(F)(F)F)CCC1.
What is the InChIKey of [1-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine?
The InChIKey is LGIPWJSITYEWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c12-11(13,14)8-3-1-6-16-9(8)10(7-15)4-2-5-10/h1,3,6H,2,4-5,7,15H2.
What are the key properties of [1-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine?
[1-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine has a molecular weight of 230.23 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(trifluoromethyl)-2-pyridinyl]cyclobutyl]methanamine is sourced from PubChem (CID 115008718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).