3-amino-1,1,1-trifluoro-2-pyrazin-2-ylbutan-2-ol

C8H10F3N3O — CID 63967749

IUPAC3-amino-1,1,1-trifluoro-2-pyrazin-2-ylbutan-2-ol
SMILESCC(N)C(O)(c1cnccn1)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-5(12)7(15,8(9,10)11)6-4-13-2-3-14-6/h2-5,15H,12H2,1H3
InChIKeyRLKLQHBSTSQOEA-UHFFFAOYSA-N
MW221.18 g/mol
LogP0.57
Rot. Bonds2

About 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylbutan-2-ol

3-amino-1,1,1-trifluoro-2-pyrazin-2-ylbutan-2-ol (PubChem CID 63967749) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylbutan-2-ol.

Molecular Properties

Compound Name3-amino-1,1,1-trifluoro-2-pyrazin-2-ylbutan-2-ol
PubChem CID63967749
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name3-amino-1,1,1-trifluoro-2-pyrazin-2-ylbutan-2-ol
SMILESCC(N)C(O)(c1cnccn1)C(F)(F)F
InChIInChI=1S/C8H10F3N3O/c1-5(12)7(15,8(9,10)11)6-4-13-2-3-14-6/h2-5,15H,12H2,1H3
InChIKeyRLKLQHBSTSQOEA-UHFFFAOYSA-N
XLogP0.57
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylbutan-2-ol?
The IUPAC name of 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylbutan-2-ol (CID 63967749) is 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylbutan-2-ol.
What is the SMILES notation for 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylbutan-2-ol?
The canonical SMILES for 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylbutan-2-ol is CC(N)C(O)(c1cnccn1)C(F)(F)F.
What is the InChIKey of 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylbutan-2-ol?
The InChIKey is RLKLQHBSTSQOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5(12)7(15,8(9,10)11)6-4-13-2-3-14-6/h2-5,15H,12H2,1H3.
What are the key properties of 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylbutan-2-ol?
3-amino-1,1,1-trifluoro-2-pyrazin-2-ylbutan-2-ol has a molecular weight of 221.18 g/mol, XLogP of 0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,1,1-trifluoro-2-pyrazin-2-ylbutan-2-ol is sourced from PubChem (CID 63967749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).