N-butyl-2,3,5,6-tetrafluoropyridin-4-amine

C9H10F4N2 — CID 79904471

IUPACN-butyl-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCCCCNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C9H10F4N2/c1-2-3-4-14-7-5(10)8(12)15-9(13)6(7)11/h2-4H2,1H3,(H,14,15)
InChIKeyQKXWSEBTWLNNQR-UHFFFAOYSA-N
MW222.18 g/mol
LogP2.85
Rot. Bonds4

About N-butyl-2,3,5,6-tetrafluoropyridin-4-amine

N-butyl-2,3,5,6-tetrafluoropyridin-4-amine (PubChem CID 79904471) has the molecular formula C9H10F4N2 and a molecular weight of 222.18 g/mol. Its IUPAC name is N-butyl-2,3,5,6-tetrafluoropyridin-4-amine.

Molecular Properties

Compound NameN-butyl-2,3,5,6-tetrafluoropyridin-4-amine
PubChem CID79904471
Molecular FormulaC9H10F4N2
Molecular Weight222.18 g/mol
Exact Mass222.08
IUPAC NameN-butyl-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCCCCNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C9H10F4N2/c1-2-3-4-14-7-5(10)8(12)15-9(13)6(7)11/h2-4H2,1H3,(H,14,15)
InChIKeyQKXWSEBTWLNNQR-UHFFFAOYSA-N
XLogP2.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-Amino-2,3,5,6-tetrafluoropyridine
CID 1270911
4-(Dimethylamino)-2,3,5,6-tetrafluoropyridine
CID 853684
N,N'-bis(2,3,5,6-tetrafluoropyridin-4-yl)propane-1,3-diamine
CID 3973534
3,5-dichloro-2,6-difluoro-N-methylpyridin-4-amine
CID 4252361
2,6-Difluoro-N-methylpyridin-4-amine
CID 122669948
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-[(2,3,5,6-Tetrafluoro-4-pyridinyl)amino]ethanol
CID 24047806
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)acetamide
CID 11298724

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,3,5,6-tetrafluoropyridin-4-amine?
The IUPAC name of N-butyl-2,3,5,6-tetrafluoropyridin-4-amine (CID 79904471) is N-butyl-2,3,5,6-tetrafluoropyridin-4-amine.
What is the SMILES notation for N-butyl-2,3,5,6-tetrafluoropyridin-4-amine?
The canonical SMILES for N-butyl-2,3,5,6-tetrafluoropyridin-4-amine is CCCCNc1c(F)c(F)nc(F)c1F.
What is the InChIKey of N-butyl-2,3,5,6-tetrafluoropyridin-4-amine?
The InChIKey is QKXWSEBTWLNNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2/c1-2-3-4-14-7-5(10)8(12)15-9(13)6(7)11/h2-4H2,1H3,(H,14,15).
What are the key properties of N-butyl-2,3,5,6-tetrafluoropyridin-4-amine?
N-butyl-2,3,5,6-tetrafluoropyridin-4-amine has a molecular weight of 222.18 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,3,5,6-tetrafluoropyridin-4-amine is sourced from PubChem (CID 79904471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).