[2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride

C9H12ClF3N2 — CID 70983747

IUPAC[2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1ccnc(CCC(F)(F)F)c1
InChIInChI=1S/C9H11F3N2.ClH/c10-9(11,12)3-1-8-5-7(6-13)2-4-14-8;/h2,4-5H,1,3,6,13H2;1H
InChIKeyYGHKZEWKUMNSNW-UHFFFAOYSA-N
MW240.66 g/mol
LogP2.46
Rot. Bonds3

About [2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride

[2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride (PubChem CID 70983747) has the molecular formula C9H12ClF3N2 and a molecular weight of 240.66 g/mol. Its IUPAC name is [2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride.

Molecular Properties

Compound Name[2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride
PubChem CID70983747
Molecular FormulaC9H12ClF3N2
Molecular Weight240.66 g/mol
Exact Mass240.06
IUPAC Name[2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride
SMILESCl.NCc1ccnc(CCC(F)(F)F)c1
InChIInChI=1S/C9H11F3N2.ClH/c10-9(11,12)3-1-8-5-7(6-13)2-4-14-8;/h2,4-5H,1,3,6,13H2;1H
InChIKeyYGHKZEWKUMNSNW-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 [2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride?
The IUPAC name of [2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride (CID 70983747) is [2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride.
What is the SMILES notation for [2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride?
The canonical SMILES for [2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride is Cl.NCc1ccnc(CCC(F)(F)F)c1.
What is the InChIKey of [2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride?
The InChIKey is YGHKZEWKUMNSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2.ClH/c10-9(11,12)3-1-8-5-7(6-13)2-4-14-8;/h2,4-5H,1,3,6,13H2;1H.
What are the key properties of [2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride?
[2-(3,3,3-trifluoropropyl)-4-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 [2-(3,3,3-trifluoropropyl)-4-pyridinyl]methanamine;hydrochloride is sourced from PubChem (CID 70983747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).