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

C16H14F8N4 — CID 132602371

IUPAC2-methyl-N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)pentane-1,5-diamine
SMILESCC(CCCNc1c(F)c(F)nc(F)c1F)CNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C16H14F8N4/c1-6(5-26-12-9(19)15(23)28-16(24)10(12)20)3-2-4-25-11-7(17)13(21)27-14(22)8(11)18/h6H,2-5H2,1H3,(H,25,27)(H,26,28)
InChIKeyUNIKADKGXDNQRF-UHFFFAOYSA-N
MW414.30 g/mol
LogP4.53
Rot. Bonds8

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

2-methyl-N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)pentane-1,5-diamine (PubChem CID 132602371) has the molecular formula C16H14F8N4 and a molecular weight of 414.30 g/mol. Its IUPAC name is 2-methyl-N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)pentane-1,5-diamine.

Molecular Properties

Compound Name2-methyl-N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)pentane-1,5-diamine
PubChem CID132602371
Molecular FormulaC16H14F8N4
Molecular Weight414.30 g/mol
Exact Mass414.11
IUPAC Name2-methyl-N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)pentane-1,5-diamine
SMILESCC(CCCNc1c(F)c(F)nc(F)c1F)CNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C16H14F8N4/c1-6(5-26-12-9(19)15(23)28-16(24)10(12)20)3-2-4-25-11-7(17)13(21)27-14(22)8(11)18/h6H,2-5H2,1H3,(H,25,27)(H,26,28)
InChIKeyUNIKADKGXDNQRF-UHFFFAOYSA-N
XLogP4.53
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.30
LogP ≤ 54.53
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-(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
N'-(2,3,5,6-tetrafluoro-4-pyridinyl)ethane-1,2-diamine
CID 11615416
N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)butane-1,4-diamine
CID 132602370
1-(2,3,5,6-Tetrafluoro-4-pyridinyl)piperazine
CID 22277803
Pyridine, 2,3,5,6-tetrafluoro-4-(4-methyl-1-piperidinyl)-
CID 23366799
1-Methyl-4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazine
CID 23441906
N-tert-butyl-2,3,5,6-tetrafluoro-1-methylpyridin-1-ium-4-amine
CID 58320110
2,3,5,6-tetrafluoro-N-(3-methylbutyl)pyridin-4-amine
CID 69243658

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)pentane-1,5-diamine?
The IUPAC name of 2-methyl-N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)pentane-1,5-diamine (CID 132602371) is 2-methyl-N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)pentane-1,5-diamine.
What is the SMILES notation for 2-methyl-N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)pentane-1,5-diamine?
The canonical SMILES for 2-methyl-N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)pentane-1,5-diamine is CC(CCCNc1c(F)c(F)nc(F)c1F)CNc1c(F)c(F)nc(F)c1F.
What is the InChIKey of 2-methyl-N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)pentane-1,5-diamine?
The InChIKey is UNIKADKGXDNQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F8N4/c1-6(5-26-12-9(19)15(23)28-16(24)10(12)20)3-2-4-25-11-7(17)13(21)27-14(22)8(11)18/h6H,2-5H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 2-methyl-N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)pentane-1,5-diamine?
2-methyl-N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)pentane-1,5-diamine has a molecular weight of 414.30 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N,N'-bis(2,3,5,6-tetrafluoro-4-pyridinyl)pentane-1,5-diamine is sourced from PubChem (CID 132602371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).