N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)butane-1,4-diamine

C14H10F8N4 — CID 132602370

IUPACN,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)butane-1,4-diamine
SMILESFc1nc(F)c(F)c(NCCCCNc2c(F)c(F)nc(F)c2F)c1F
InChIInChI=1S/C14H10F8N4/c15-5-9(6(16)12(20)25-11(5)19)23-3-1-2-4-24-10-7(17)13(21)26-14(22)8(10)18/h1-4H2,(H,23,25)(H,24,26)
InChIKeyWIQOACNMMXONQH-UHFFFAOYSA-N
MW386.25 g/mol
LogP3.89
Rot. Bonds7

About N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)butane-1,4-diamine

N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)butane-1,4-diamine (PubChem CID 132602370) has the molecular formula C14H10F8N4 and a molecular weight of 386.25 g/mol. Its IUPAC name is N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)butane-1,4-diamine
PubChem CID132602370
Molecular FormulaC14H10F8N4
Molecular Weight386.25 g/mol
Exact Mass386.08
IUPAC NameN,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)butane-1,4-diamine
SMILESFc1nc(F)c(F)c(NCCCCNc2c(F)c(F)nc(F)c2F)c1F
InChIInChI=1S/C14H10F8N4/c15-5-9(6(16)12(20)25-11(5)19)23-3-1-2-4-24-10-7(17)13(21)26-14(22)8(10)18/h1-4H2,(H,23,25)(H,24,26)
InChIKeyWIQOACNMMXONQH-UHFFFAOYSA-N
XLogP3.89
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2,3,5,6-tetrafluoropyridin-4-yl)propane-1,3-diamine
CID 3973534
4-Diethylamino-2,3,5,6-tetrafluoropyridine
CID 14400537
4-(t-Butylamino)-2,3,5,6-tetrafluoropyridine
CID 22121159
2,3,5,6-Tetrafluoro-4-(piperidin-1-yl)pyridin
CID 23441913
N'-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,3-diamine
CID 4561709
2,3,5,6-tetrafluoro-N-(2,3,5,6-tetrafluoro-4-pyridinyl)-4-pyridinamine
CID 3328985
1-(3,5-Difluoropyridin-4-yl)piperazine
CID 44668350
2,3,5,6-tetrafluoro-N-(2',3',5',6'-tetrafluoro-4h-1,4'-bipyridin-4-ylidene)pyridin-4-amine
CID 132276784
N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine
CID 11615416
2,3,5,6-tetrafluoro-N-(pentafluorophenyl)-4-pyridinamine
CID 13303728
2-methyl-N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)pentane-1,5-diamine
CID 132602371
1-(2,3,5,6-Tetrafluoro-4-pyridinyl)piperazine
CID 22277803

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)butane-1,4-diamine?
The IUPAC name of N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)butane-1,4-diamine (CID 132602370) is N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)butane-1,4-diamine.
What is the SMILES notation for N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)butane-1,4-diamine?
The canonical SMILES for N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)butane-1,4-diamine is Fc1nc(F)c(F)c(NCCCCNc2c(F)c(F)nc(F)c2F)c1F.
What is the InChIKey of N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)butane-1,4-diamine?
The InChIKey is WIQOACNMMXONQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F8N4/c15-5-9(6(16)12(20)25-11(5)19)23-3-1-2-4-24-10-7(17)13(21)26-14(22)8(10)18/h1-4H2,(H,23,25)(H,24,26).
What are the key properties of N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)butane-1,4-diamine?
N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)butane-1,4-diamine has a molecular weight of 386.25 g/mol, XLogP of 3.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)butane-1,4-diamine is sourced from PubChem (CID 132602370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).