6-(4-fluorocyclohexa-1,3-dien-1-yl)-2,3,3-trimethyl-2,4-dihydro-1H-pyrazine

C13H19FN2 — CID 139525633

IUPAC6-(4-fluorocyclohexa-1,3-dien-1-yl)-2,3,3-trimethyl-2,4-dihydro-1H-pyrazine
SMILESCC1NC(C2=CC=C(F)CC2)=CNC1(C)C
InChIInChI=1S/C13H19FN2/c1-9-13(2,3)15-8-12(16-9)10-4-6-11(14)7-5-10/h4,6,8-9,15-16H,5,7H2,1-3H3
InChIKeySRSZNSQIDOGWQJ-UHFFFAOYSA-N
MW222.31 g/mol
LogP2.76
Rot. Bonds1

About 6-(4-fluorocyclohexa-1,3-dien-1-yl)-2,3,3-trimethyl-2,4-dihydro-1H-pyrazine

6-(4-fluorocyclohexa-1,3-dien-1-yl)-2,3,3-trimethyl-2,4-dihydro-1H-pyrazine (PubChem CID 139525633) has the molecular formula C13H19FN2 and a molecular weight of 222.31 g/mol. Its IUPAC name is 6-(4-fluorocyclohexa-1,3-dien-1-yl)-2,3,3-trimethyl-2,4-dihydro-1H-pyrazine.

Molecular Properties

Compound Name6-(4-fluorocyclohexa-1,3-dien-1-yl)-2,3,3-trimethyl-2,4-dihydro-1H-pyrazine
PubChem CID139525633
Molecular FormulaC13H19FN2
Molecular Weight222.31 g/mol
Exact Mass222.15
IUPAC Name6-(4-fluorocyclohexa-1,3-dien-1-yl)-2,3,3-trimethyl-2,4-dihydro-1H-pyrazine
SMILESCC1NC(C2=CC=C(F)CC2)=CNC1(C)C
InChIInChI=1S/C13H19FN2/c1-9-13(2,3)15-8-12(16-9)10-4-6-11(14)7-5-10/h4,6,8-9,15-16H,5,7H2,1-3H3
InChIKeySRSZNSQIDOGWQJ-UHFFFAOYSA-N
XLogP2.76
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorocyclohexa-1,3-dien-1-yl)-2,3,3-trimethyl-2,4-dihydro-1H-pyrazine?
The IUPAC name of 6-(4-fluorocyclohexa-1,3-dien-1-yl)-2,3,3-trimethyl-2,4-dihydro-1H-pyrazine (CID 139525633) is 6-(4-fluorocyclohexa-1,3-dien-1-yl)-2,3,3-trimethyl-2,4-dihydro-1H-pyrazine.
What is the SMILES notation for 6-(4-fluorocyclohexa-1,3-dien-1-yl)-2,3,3-trimethyl-2,4-dihydro-1H-pyrazine?
The canonical SMILES for 6-(4-fluorocyclohexa-1,3-dien-1-yl)-2,3,3-trimethyl-2,4-dihydro-1H-pyrazine is CC1NC(C2=CC=C(F)CC2)=CNC1(C)C.
What is the InChIKey of 6-(4-fluorocyclohexa-1,3-dien-1-yl)-2,3,3-trimethyl-2,4-dihydro-1H-pyrazine?
The InChIKey is SRSZNSQIDOGWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2/c1-9-13(2,3)15-8-12(16-9)10-4-6-11(14)7-5-10/h4,6,8-9,15-16H,5,7H2,1-3H3.
What are the key properties of 6-(4-fluorocyclohexa-1,3-dien-1-yl)-2,3,3-trimethyl-2,4-dihydro-1H-pyrazine?
6-(4-fluorocyclohexa-1,3-dien-1-yl)-2,3,3-trimethyl-2,4-dihydro-1H-pyrazine has a molecular weight of 222.31 g/mol, XLogP of 2.76, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorocyclohexa-1,3-dien-1-yl)-2,3,3-trimethyl-2,4-dihydro-1H-pyrazine is sourced from PubChem (CID 139525633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).