(2-chloro-4-fluorophenyl)-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)methanone

C13H14ClFN2O2 — CID 66599458

IUPAC(2-chloro-4-fluorophenyl)-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)methanone
SMILESCCOC1=NCCN(C(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C13H14ClFN2O2/c1-2-19-12-8-17(6-5-16-12)13(18)10-4-3-9(15)7-11(10)14/h3-4,7H,2,5-6,8H2,1H3
InChIKeyZGUFTFPQSXXPOJ-UHFFFAOYSA-N
MW284.72 g/mol
LogP2.37
Rot. Bonds2

About (2-chloro-4-fluorophenyl)-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)methanone

(2-chloro-4-fluorophenyl)-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)methanone (PubChem CID 66599458) has the molecular formula C13H14ClFN2O2 and a molecular weight of 284.72 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)methanone
PubChem CID66599458
Molecular FormulaC13H14ClFN2O2
Molecular Weight284.72 g/mol
Exact Mass284.07
IUPAC Name(2-chloro-4-fluorophenyl)-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)methanone
SMILESCCOC1=NCCN(C(=O)c2ccc(F)cc2Cl)C1
InChIInChI=1S/C13H14ClFN2O2/c1-2-19-12-8-17(6-5-16-12)13(18)10-4-3-9(15)7-11(10)14/h3-4,7H,2,5-6,8H2,1H3
InChIKeyZGUFTFPQSXXPOJ-UHFFFAOYSA-N
XLogP2.37
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.72
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)methanone (CID 66599458) is (2-chloro-4-fluorophenyl)-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)methanone is CCOC1=NCCN(C(=O)c2ccc(F)cc2Cl)C1.
What is the InChIKey of (2-chloro-4-fluorophenyl)-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)methanone?
The InChIKey is ZGUFTFPQSXXPOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2O2/c1-2-19-12-8-17(6-5-16-12)13(18)10-4-3-9(15)7-11(10)14/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of (2-chloro-4-fluorophenyl)-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)methanone?
(2-chloro-4-fluorophenyl)-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)methanone has a molecular weight of 284.72 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-(6-ethoxy-3,5-dihydro-2H-pyrazin-4-yl)methanone is sourced from PubChem (CID 66599458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).