3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride

C9H12ClF3N2 — CID 118798658

IUPAC3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride
SMILESCl.NCCCc1cncc(C(F)(F)F)c1
InChIInChI=1S/C9H11F3N2.ClH/c10-9(11,12)8-4-7(2-1-3-13)5-14-6-8;/h4-6H,1-3,13H2;1H
InChIKeyFQXUDPACLCERLF-UHFFFAOYSA-N
MW240.66 g/mol
LogP2.41
Rot. Bonds3

About 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride

3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride (PubChem CID 118798658) has the molecular formula C9H12ClF3N2 and a molecular weight of 240.66 g/mol. Its IUPAC name is 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride
PubChem CID118798658
Molecular FormulaC9H12ClF3N2
Molecular Weight240.66 g/mol
Exact Mass240.06
IUPAC Name3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride
SMILESCl.NCCCc1cncc(C(F)(F)F)c1
InChIInChI=1S/C9H11F3N2.ClH/c10-9(11,12)8-4-7(2-1-3-13)5-14-6-8;/h4-6H,1-3,13H2;1H
InChIKeyFQXUDPACLCERLF-UHFFFAOYSA-N
XLogP2.41
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 ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride?
The IUPAC name of 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride (CID 118798658) is 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride.
What is the SMILES notation for 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride?
The canonical SMILES for 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride is Cl.NCCCc1cncc(C(F)(F)F)c1.
What is the InChIKey of 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride?
The InChIKey is FQXUDPACLCERLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2.ClH/c10-9(11,12)8-4-7(2-1-3-13)5-14-6-8;/h4-6H,1-3,13H2;1H.
What are the key properties of 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride?
3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride has a molecular weight of 240.66 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(trifluoromethyl)-3-pyridinyl]propan-1-amine;hydrochloride is sourced from PubChem (CID 118798658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).