6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine

C8H8F4N2O — CID 29004293

IUPAC6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine
SMILESNc1ccc(OCC(F)(F)C(F)F)nc1
InChIInChI=1S/C8H8F4N2O/c9-7(10)8(11,12)4-15-6-2-1-5(13)3-14-6/h1-3,7H,4,13H2
InChIKeyXDHROHIHKBDPTB-UHFFFAOYSA-N
MW224.16 g/mol
LogP1.94
Rot. Bonds4

About 6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine

6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine (PubChem CID 29004293) has the molecular formula C8H8F4N2O and a molecular weight of 224.16 g/mol. Its IUPAC name is 6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine.

Molecular Properties

Compound Name6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine
PubChem CID29004293
Molecular FormulaC8H8F4N2O
Molecular Weight224.16 g/mol
Exact Mass224.06
IUPAC Name6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine
SMILESNc1ccc(OCC(F)(F)C(F)F)nc1
InChIInChI=1S/C8H8F4N2O/c9-7(10)8(11,12)4-15-6-2-1-5(13)3-14-6/h1-3,7H,4,13H2
InChIKeyXDHROHIHKBDPTB-UHFFFAOYSA-N
XLogP1.94
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.16
LogP ≤ 51.94
H-Bond Donors ≤ 51
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 6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine?
The IUPAC name of 6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine (CID 29004293) is 6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine.
What is the SMILES notation for 6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine?
The canonical SMILES for 6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine is Nc1ccc(OCC(F)(F)C(F)F)nc1.
What is the InChIKey of 6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine?
The InChIKey is XDHROHIHKBDPTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2O/c9-7(10)8(11,12)4-15-6-2-1-5(13)3-14-6/h1-3,7H,4,13H2.
What are the key properties of 6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine?
6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine has a molecular weight of 224.16 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,3,3-tetrafluoropropoxy)pyridin-3-amine is sourced from PubChem (CID 29004293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).