3-ethyl-1-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pentan-2-ol

C12H16F4N2O — CID 103749883

IUPAC3-ethyl-1-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pentan-2-ol
SMILESCCC(CC)C(O)CNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C12H16F4N2O/c1-3-6(4-2)7(19)5-17-10-8(13)11(15)18-12(16)9(10)14/h6-7,19H,3-5H2,1-2H3,(H,17,18)
InChIKeyKLNOWFBSHBUZQF-UHFFFAOYSA-N
MW280.27 g/mol
LogP2.85
Rot. Bonds6

About 3-ethyl-1-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pentan-2-ol

3-ethyl-1-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pentan-2-ol (PubChem CID 103749883) has the molecular formula C12H16F4N2O and a molecular weight of 280.27 g/mol. Its IUPAC name is 3-ethyl-1-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pentan-2-ol
PubChem CID103749883
Molecular FormulaC12H16F4N2O
Molecular Weight280.27 g/mol
Exact Mass280.12
IUPAC Name3-ethyl-1-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pentan-2-ol
SMILESCCC(CC)C(O)CNc1c(F)c(F)nc(F)c1F
InChIInChI=1S/C12H16F4N2O/c1-3-6(4-2)7(19)5-17-10-8(13)11(15)18-12(16)9(10)14/h6-7,19H,3-5H2,1-2H3,(H,17,18)
InChIKeyKLNOWFBSHBUZQF-UHFFFAOYSA-N
XLogP2.85
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.27
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-ethyl-1-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pentan-2-ol (CID 103749883) is 3-ethyl-1-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pentan-2-ol is CCC(CC)C(O)CNc1c(F)c(F)nc(F)c1F.
What is the InChIKey of 3-ethyl-1-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pentan-2-ol?
The InChIKey is KLNOWFBSHBUZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N2O/c1-3-6(4-2)7(19)5-17-10-8(13)11(15)18-12(16)9(10)14/h6-7,19H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 3-ethyl-1-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pentan-2-ol?
3-ethyl-1-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pentan-2-ol has a molecular weight of 280.27 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(2,3,5,6-tetrafluoro-4-pyridinyl)amino]pentan-2-ol is sourced from PubChem (CID 103749883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).