2-propan-2-yl-3-(3,3,3-trifluoropropyl)pyrazine

C10H13F3N2 — CID 174275477

IUPAC2-propan-2-yl-3-(3,3,3-trifluoropropyl)pyrazine
SMILESCC(C)c1nccnc1CCC(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-7(2)9-8(14-5-6-15-9)3-4-10(11,12)13/h5-7H,3-4H2,1-2H3
InChIKeyYCBQVLKAAVXMBL-UHFFFAOYSA-N
MW218.22 g/mol
LogP3.09
Rot. Bonds3

About 2-propan-2-yl-3-(3,3,3-trifluoropropyl)pyrazine

2-propan-2-yl-3-(3,3,3-trifluoropropyl)pyrazine (PubChem CID 174275477) has the molecular formula C10H13F3N2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-propan-2-yl-3-(3,3,3-trifluoropropyl)pyrazine.

Molecular Properties

Compound Name2-propan-2-yl-3-(3,3,3-trifluoropropyl)pyrazine
PubChem CID174275477
Molecular FormulaC10H13F3N2
Molecular Weight218.22 g/mol
Exact Mass218.10
IUPAC Name2-propan-2-yl-3-(3,3,3-trifluoropropyl)pyrazine
SMILESCC(C)c1nccnc1CCC(F)(F)F
InChIInChI=1S/C10H13F3N2/c1-7(2)9-8(14-5-6-15-9)3-4-10(11,12)13/h5-7H,3-4H2,1-2H3
InChIKeyYCBQVLKAAVXMBL-UHFFFAOYSA-N
XLogP3.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-3-(3,3,3-trifluoropropyl)pyrazine?
The IUPAC name of 2-propan-2-yl-3-(3,3,3-trifluoropropyl)pyrazine (CID 174275477) is 2-propan-2-yl-3-(3,3,3-trifluoropropyl)pyrazine.
What is the SMILES notation for 2-propan-2-yl-3-(3,3,3-trifluoropropyl)pyrazine?
The canonical SMILES for 2-propan-2-yl-3-(3,3,3-trifluoropropyl)pyrazine is CC(C)c1nccnc1CCC(F)(F)F.
What is the InChIKey of 2-propan-2-yl-3-(3,3,3-trifluoropropyl)pyrazine?
The InChIKey is YCBQVLKAAVXMBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2/c1-7(2)9-8(14-5-6-15-9)3-4-10(11,12)13/h5-7H,3-4H2,1-2H3.
What are the key properties of 2-propan-2-yl-3-(3,3,3-trifluoropropyl)pyrazine?
2-propan-2-yl-3-(3,3,3-trifluoropropyl)pyrazine has a molecular weight of 218.22 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-3-(3,3,3-trifluoropropyl)pyrazine is sourced from PubChem (CID 174275477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).