3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine

C10H13F4N3 — CID 106296062

IUPAC3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine
SMILESCCNc1cncc(NCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H13F4N3/c1-2-16-7-3-8(5-15-4-7)17-6-10(13,14)9(11)12/h3-5,9,16-17H,2,6H2,1H3
InChIKeyFOUSKEDDOXJMEN-UHFFFAOYSA-N
MW251.23 g/mol
LogP2.83
Rot. Bonds6

About 3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine

3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine (PubChem CID 106296062) has the molecular formula C10H13F4N3 and a molecular weight of 251.23 g/mol. Its IUPAC name is 3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine.

Molecular Properties

Compound Name3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine
PubChem CID106296062
Molecular FormulaC10H13F4N3
Molecular Weight251.23 g/mol
Exact Mass251.10
IUPAC Name3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine
SMILESCCNc1cncc(NCC(F)(F)C(F)F)c1
InChIInChI=1S/C10H13F4N3/c1-2-16-7-3-8(5-15-4-7)17-6-10(13,14)9(11)12/h3-5,9,16-17H,2,6H2,1H3
InChIKeyFOUSKEDDOXJMEN-UHFFFAOYSA-N
XLogP2.83
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.23
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine?
The IUPAC name of 3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine (CID 106296062) is 3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine.
What is the SMILES notation for 3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine?
The canonical SMILES for 3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine is CCNc1cncc(NCC(F)(F)C(F)F)c1.
What is the InChIKey of 3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine?
The InChIKey is FOUSKEDDOXJMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F4N3/c1-2-16-7-3-8(5-15-4-7)17-6-10(13,14)9(11)12/h3-5,9,16-17H,2,6H2,1H3.
What are the key properties of 3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine?
3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine has a molecular weight of 251.23 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-5-N-(2,2,3,3-tetrafluoropropyl)pyridine-3,5-diamine is sourced from PubChem (CID 106296062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).