N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

C14H12F6N4 — CID 2325355

IUPACN,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESFC(F)(F)c1ccc(NCCNc2ccc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C14H12F6N4/c15-13(16,17)9-1-3-11(23-7-9)21-5-6-22-12-4-2-10(8-24-12)14(18,19)20/h1-4,7-8H,5-6H2,(H,21,23)(H,22,24)
InChIKeyVCTZZMTTXRRDFE-UHFFFAOYSA-N
MW350.27 g/mol
LogP4.04
Rot. Bonds5

About N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine

N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (PubChem CID 2325355) has the molecular formula C14H12F6N4 and a molecular weight of 350.27 g/mol. Its IUPAC name is N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
PubChem CID2325355
Molecular FormulaC14H12F6N4
Molecular Weight350.27 g/mol
Exact Mass350.10
IUPAC NameN,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine
SMILESFC(F)(F)c1ccc(NCCNc2ccc(C(F)(F)F)cn2)nc1
InChIInChI=1S/C14H12F6N4/c15-13(16,17)9-1-3-11(23-7-9)21-5-6-22-12-4-2-10(8-24-12)14(18,19)20/h1-4,7-8H,5-6H2,(H,21,23)(H,22,24)
InChIKeyVCTZZMTTXRRDFE-UHFFFAOYSA-N
XLogP4.04
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.27
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The IUPAC name of N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine (CID 2325355) is N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The canonical SMILES for N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is FC(F)(F)c1ccc(NCCNc2ccc(C(F)(F)F)cn2)nc1.
What is the InChIKey of N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
The InChIKey is VCTZZMTTXRRDFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6N4/c15-13(16,17)9-1-3-11(23-7-9)21-5-6-22-12-4-2-10(8-24-12)14(18,19)20/h1-4,7-8H,5-6H2,(H,21,23)(H,22,24).
What are the key properties of N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine?
N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine has a molecular weight of 350.27 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[5-(trifluoromethyl)-2-pyridinyl]ethane-1,2-diamine is sourced from PubChem (CID 2325355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).