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

C9H10F4N2 — CID 14400537

IUPACN,N-diethyl-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCCN(CC)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C9H10F4N2/c1-3-15(4-2)7-5(10)8(12)14-9(13)6(7)11/h3-4H2,1-2H3
InChIKeyIHYBHFJPASIFBH-UHFFFAOYSA-N
MW222.18 g/mol
LogP2.48
Rot. Bonds3

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

N,N-diethyl-2,3,5,6-tetrafluoropyridin-4-amine (PubChem CID 14400537) has the molecular formula C9H10F4N2 and a molecular weight of 222.18 g/mol. Its IUPAC name is N,N-diethyl-2,3,5,6-tetrafluoropyridin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-2,3,5,6-tetrafluoropyridin-4-amine
PubChem CID14400537
Molecular FormulaC9H10F4N2
Molecular Weight222.18 g/mol
Exact Mass222.08
IUPAC NameN,N-diethyl-2,3,5,6-tetrafluoropyridin-4-amine
SMILESCCN(CC)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C9H10F4N2/c1-3-15(4-2)7-5(10)8(12)14-9(13)6(7)11/h3-4H2,1-2H3
InChIKeyIHYBHFJPASIFBH-UHFFFAOYSA-N
XLogP2.48
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.18
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2,3,5,6-tetrafluoropyridin-4-amine?
The IUPAC name of N,N-diethyl-2,3,5,6-tetrafluoropyridin-4-amine (CID 14400537) is N,N-diethyl-2,3,5,6-tetrafluoropyridin-4-amine.
What is the SMILES notation for N,N-diethyl-2,3,5,6-tetrafluoropyridin-4-amine?
The canonical SMILES for N,N-diethyl-2,3,5,6-tetrafluoropyridin-4-amine is CCN(CC)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of N,N-diethyl-2,3,5,6-tetrafluoropyridin-4-amine?
The InChIKey is IHYBHFJPASIFBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2/c1-3-15(4-2)7-5(10)8(12)14-9(13)6(7)11/h3-4H2,1-2H3.
What are the key properties of N,N-diethyl-2,3,5,6-tetrafluoropyridin-4-amine?
N,N-diethyl-2,3,5,6-tetrafluoropyridin-4-amine has a molecular weight of 222.18 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2,3,5,6-tetrafluoropyridin-4-amine is sourced from PubChem (CID 14400537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).