2,2-difluoro-2-pyrazin-2-yl-1-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]ethanone

C13H12F5N5O — CID 167962969

IUPAC2,2-difluoro-2-pyrazin-2-yl-1-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]ethanone
SMILESO=C(N1CCC(C2(C(F)(F)F)N=N2)CC1)C(F)(F)c1cnccn1
InChIInChI=1S/C13H12F5N5O/c14-11(15,9-7-19-3-4-20-9)10(24)23-5-1-8(2-6-23)12(21-22-12)13(16,17)18/h3-4,7-8H,1-2,5-6H2
InChIKeyDWTNECIQIZOVPM-UHFFFAOYSA-N
MW349.26 g/mol
LogP2.53
Rot. Bonds3

About 2,2-difluoro-2-pyrazin-2-yl-1-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]ethanone

2,2-difluoro-2-pyrazin-2-yl-1-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]ethanone (PubChem CID 167962969) has the molecular formula C13H12F5N5O and a molecular weight of 349.26 g/mol. Its IUPAC name is 2,2-difluoro-2-pyrazin-2-yl-1-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2,2-difluoro-2-pyrazin-2-yl-1-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]ethanone
PubChem CID167962969
Molecular FormulaC13H12F5N5O
Molecular Weight349.26 g/mol
Exact Mass349.10
IUPAC Name2,2-difluoro-2-pyrazin-2-yl-1-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]ethanone
SMILESO=C(N1CCC(C2(C(F)(F)F)N=N2)CC1)C(F)(F)c1cnccn1
InChIInChI=1S/C13H12F5N5O/c14-11(15,9-7-19-3-4-20-9)10(24)23-5-1-8(2-6-23)12(21-22-12)13(16,17)18/h3-4,7-8H,1-2,5-6H2
InChIKeyDWTNECIQIZOVPM-UHFFFAOYSA-N
XLogP2.53
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-pyrazin-2-yl-1-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2,2-difluoro-2-pyrazin-2-yl-1-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]ethanone (CID 167962969) is 2,2-difluoro-2-pyrazin-2-yl-1-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2,2-difluoro-2-pyrazin-2-yl-1-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2,2-difluoro-2-pyrazin-2-yl-1-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]ethanone is O=C(N1CCC(C2(C(F)(F)F)N=N2)CC1)C(F)(F)c1cnccn1.
What is the InChIKey of 2,2-difluoro-2-pyrazin-2-yl-1-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]ethanone?
The InChIKey is DWTNECIQIZOVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F5N5O/c14-11(15,9-7-19-3-4-20-9)10(24)23-5-1-8(2-6-23)12(21-22-12)13(16,17)18/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 2,2-difluoro-2-pyrazin-2-yl-1-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]ethanone?
2,2-difluoro-2-pyrazin-2-yl-1-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]ethanone has a molecular weight of 349.26 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-pyrazin-2-yl-1-[4-[3-(trifluoromethyl)diazirin-3-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 167962969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).