(1R)-2,2,3,3,3-pentafluoro-1-(2,3,5-trichloro-4-pyridinyl)propan-1-amine;hydrochloride

C8H5Cl4F5N2 — CID 171312358

IUPAC(1R)-2,2,3,3,3-pentafluoro-1-(2,3,5-trichloro-4-pyridinyl)propan-1-amine;hydrochloride
SMILESCl.N[C@H](c1c(Cl)cnc(Cl)c1Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4Cl3F5N2.ClH/c9-2-1-18-6(11)4(10)3(2)5(17)7(12,13)8(14,15)16;/h1,5H,17H2;1H/t5-;/m1./s1
InChIKeyWPWNRVZZGMQZJS-NUBCRITNSA-N
MW365.94 g/mol
LogP4.66
Rot. Bonds2

About (1R)-2,2,3,3,3-pentafluoro-1-(2,3,5-trichloro-4-pyridinyl)propan-1-amine;hydrochloride

(1R)-2,2,3,3,3-pentafluoro-1-(2,3,5-trichloro-4-pyridinyl)propan-1-amine;hydrochloride (PubChem CID 171312358) has the molecular formula C8H5Cl4F5N2 and a molecular weight of 365.94 g/mol. Its IUPAC name is (1R)-2,2,3,3,3-pentafluoro-1-(2,3,5-trichloro-4-pyridinyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-2,2,3,3,3-pentafluoro-1-(2,3,5-trichloro-4-pyridinyl)propan-1-amine;hydrochloride
PubChem CID171312358
Molecular FormulaC8H5Cl4F5N2
Molecular Weight365.94 g/mol
Exact Mass363.91
IUPAC Name(1R)-2,2,3,3,3-pentafluoro-1-(2,3,5-trichloro-4-pyridinyl)propan-1-amine;hydrochloride
SMILESCl.N[C@H](c1c(Cl)cnc(Cl)c1Cl)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H4Cl3F5N2.ClH/c9-2-1-18-6(11)4(10)3(2)5(17)7(12,13)8(14,15)16;/h1,5H,17H2;1H/t5-;/m1./s1
InChIKeyWPWNRVZZGMQZJS-NUBCRITNSA-N
XLogP4.66
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.94
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze (1R)-2,2,3,3,3-pentafluoro-1-(2,3,5-trichloro-4-pyridinyl)propan-1-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(2,3,5-trichloro-4-pyridinyl)propan-1-amine;hydrochloride?
The IUPAC name of (1R)-2,2,3,3,3-pentafluoro-1-(2,3,5-trichloro-4-pyridinyl)propan-1-amine;hydrochloride (CID 171312358) is (1R)-2,2,3,3,3-pentafluoro-1-(2,3,5-trichloro-4-pyridinyl)propan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-2,2,3,3,3-pentafluoro-1-(2,3,5-trichloro-4-pyridinyl)propan-1-amine;hydrochloride?
The canonical SMILES for (1R)-2,2,3,3,3-pentafluoro-1-(2,3,5-trichloro-4-pyridinyl)propan-1-amine;hydrochloride is Cl.N[C@H](c1c(Cl)cnc(Cl)c1Cl)C(F)(F)C(F)(F)F.
What is the InChIKey of (1R)-2,2,3,3,3-pentafluoro-1-(2,3,5-trichloro-4-pyridinyl)propan-1-amine;hydrochloride?
The InChIKey is WPWNRVZZGMQZJS-NUBCRITNSA-N. The full InChI is InChI=1S/C8H4Cl3F5N2.ClH/c9-2-1-18-6(11)4(10)3(2)5(17)7(12,13)8(14,15)16;/h1,5H,17H2;1H/t5-;/m1./s1.
What are the key properties of (1R)-2,2,3,3,3-pentafluoro-1-(2,3,5-trichloro-4-pyridinyl)propan-1-amine;hydrochloride?
(1R)-2,2,3,3,3-pentafluoro-1-(2,3,5-trichloro-4-pyridinyl)propan-1-amine;hydrochloride has a molecular weight of 365.94 g/mol, XLogP of 4.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2,3,3,3-pentafluoro-1-(2,3,5-trichloro-4-pyridinyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 171312358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).