[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride

C9H12ClF3N2 — CID 67508680

IUPAC[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(CCC(F)(F)F)nc1
InChIInChI=1S/C9H11F3N2.ClH/c10-9(11,12)4-3-8-2-1-7(5-13)6-14-8;/h1-2,6H,3-5,13H2;1H
InChIKeyGULPEPGOZYMDAG-UHFFFAOYSA-N
MW240.66 g/mol
LogP2.46
Rot. Bonds3

About [6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride

[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride (PubChem CID 67508680) has the molecular formula C9H12ClF3N2 and a molecular weight of 240.66 g/mol. Its IUPAC name is [6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride
PubChem CID67508680
Molecular FormulaC9H12ClF3N2
Molecular Weight240.66 g/mol
Exact Mass240.06
IUPAC Name[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1ccc(CCC(F)(F)F)nc1
InChIInChI=1S/C9H11F3N2.ClH/c10-9(11,12)4-3-8-2-1-7(5-13)6-14-8;/h1-2,6H,3-5,13H2;1H
InChIKeyGULPEPGOZYMDAG-UHFFFAOYSA-N
XLogP2.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride?
The IUPAC name of [6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride (CID 67508680) is [6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride.
What is the SMILES notation for [6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride?
The canonical SMILES for [6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride is Cl.NCc1ccc(CCC(F)(F)F)nc1.
What is the InChIKey of [6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride?
The InChIKey is GULPEPGOZYMDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2.ClH/c10-9(11,12)4-3-8-2-1-7(5-13)6-14-8;/h1-2,6H,3-5,13H2;1H.
What are the key properties of [6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride?
[6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride has a molecular weight of 240.66 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3,3,3-trifluoropropyl)-3-pyridinyl]methanamine;hydrochloride is sourced from PubChem (CID 67508680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).