2-[1-[4-(2,2-difluoroethoxy)phenyl]prop-1-en-2-yl]pyrazine

C15H14F2N2O — CID 127265740

IUPAC2-[1-[4-(2,2-difluoroethoxy)phenyl]prop-1-en-2-yl]pyrazine
SMILESCC(=Cc1ccc(OCC(F)F)cc1)c1cnccn1
InChIInChI=1S/C15H14F2N2O/c1-11(14-9-18-6-7-19-14)8-12-2-4-13(5-3-12)20-10-15(16)17/h2-9,15H,10H2,1H3
InChIKeyUJBDSNLHDHNNJS-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.68
Rot. Bonds5

About 2-[1-[4-(2,2-difluoroethoxy)phenyl]prop-1-en-2-yl]pyrazine

2-[1-[4-(2,2-difluoroethoxy)phenyl]prop-1-en-2-yl]pyrazine (PubChem CID 127265740) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 2-[1-[4-(2,2-difluoroethoxy)phenyl]prop-1-en-2-yl]pyrazine.

Molecular Properties

Compound Name2-[1-[4-(2,2-difluoroethoxy)phenyl]prop-1-en-2-yl]pyrazine
PubChem CID127265740
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name2-[1-[4-(2,2-difluoroethoxy)phenyl]prop-1-en-2-yl]pyrazine
SMILESCC(=Cc1ccc(OCC(F)F)cc1)c1cnccn1
InChIInChI=1S/C15H14F2N2O/c1-11(14-9-18-6-7-19-14)8-12-2-4-13(5-3-12)20-10-15(16)17/h2-9,15H,10H2,1H3
InChIKeyUJBDSNLHDHNNJS-UHFFFAOYSA-N
XLogP3.68
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-(2,2-difluoroethoxy)phenyl]prop-1-en-2-yl]pyrazine?
The IUPAC name of 2-[1-[4-(2,2-difluoroethoxy)phenyl]prop-1-en-2-yl]pyrazine (CID 127265740) is 2-[1-[4-(2,2-difluoroethoxy)phenyl]prop-1-en-2-yl]pyrazine.
What is the SMILES notation for 2-[1-[4-(2,2-difluoroethoxy)phenyl]prop-1-en-2-yl]pyrazine?
The canonical SMILES for 2-[1-[4-(2,2-difluoroethoxy)phenyl]prop-1-en-2-yl]pyrazine is CC(=Cc1ccc(OCC(F)F)cc1)c1cnccn1.
What is the InChIKey of 2-[1-[4-(2,2-difluoroethoxy)phenyl]prop-1-en-2-yl]pyrazine?
The InChIKey is UJBDSNLHDHNNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-11(14-9-18-6-7-19-14)8-12-2-4-13(5-3-12)20-10-15(16)17/h2-9,15H,10H2,1H3.
What are the key properties of 2-[1-[4-(2,2-difluoroethoxy)phenyl]prop-1-en-2-yl]pyrazine?
2-[1-[4-(2,2-difluoroethoxy)phenyl]prop-1-en-2-yl]pyrazine has a molecular weight of 276.29 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-(2,2-difluoroethoxy)phenyl]prop-1-en-2-yl]pyrazine is sourced from PubChem (CID 127265740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).