2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyrazine

C10H10F5N3 — CID 178073333

IUPAC2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyrazine
SMILESFC1(F)CCN(c2cncc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H10F5N3/c11-9(12)1-3-18(4-2-9)8-6-16-5-7(17-8)10(13,14)15/h5-6H,1-4H2
InChIKeyQRSDYEBFNBLQQB-UHFFFAOYSA-N
MW267.20 g/mol
LogP2.73
Rot. Bonds1

About 2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyrazine

2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyrazine (PubChem CID 178073333) has the molecular formula C10H10F5N3 and a molecular weight of 267.20 g/mol. Its IUPAC name is 2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyrazine.

Molecular Properties

Compound Name2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyrazine
PubChem CID178073333
Molecular FormulaC10H10F5N3
Molecular Weight267.20 g/mol
Exact Mass267.08
IUPAC Name2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyrazine
SMILESFC1(F)CCN(c2cncc(C(F)(F)F)n2)CC1
InChIInChI=1S/C10H10F5N3/c11-9(12)1-3-18(4-2-9)8-6-16-5-7(17-8)10(13,14)15/h5-6H,1-4H2
InChIKeyQRSDYEBFNBLQQB-UHFFFAOYSA-N
XLogP2.73
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyrazine?
The IUPAC name of 2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyrazine (CID 178073333) is 2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyrazine.
What is the SMILES notation for 2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyrazine?
The canonical SMILES for 2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyrazine is FC1(F)CCN(c2cncc(C(F)(F)F)n2)CC1.
What is the InChIKey of 2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyrazine?
The InChIKey is QRSDYEBFNBLQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5N3/c11-9(12)1-3-18(4-2-9)8-6-16-5-7(17-8)10(13,14)15/h5-6H,1-4H2.
What are the key properties of 2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyrazine?
2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyrazine has a molecular weight of 267.20 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluoropiperidin-1-yl)-6-(trifluoromethyl)pyrazine is sourced from PubChem (CID 178073333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).