7-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine

C24H23FN2 — CID 174412192

IUPAC7-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine
SMILESCc1cc2c3c(ccc2c2cccc(F)c12)CCCC3C.c1cnccn1
InChIInChI=1S/C20H19F.C4H4N2/c1-12-5-3-6-14-9-10-15-16-7-4-8-18(21)20(16)13(2)11-17(15)19(12)14;1-2-6-4-3-5-1/h4,7-12H,3,5-6H2,1-2H3;1-4H
InChIKeyBONBVEZEJINGAA-UHFFFAOYSA-N
MW358.46 g/mol
LogP6.36
Rot. Bonds

About 7-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine

7-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine (PubChem CID 174412192) has the molecular formula C24H23FN2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 7-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine.

Molecular Properties

Compound Name7-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine
PubChem CID174412192
Molecular FormulaC24H23FN2
Molecular Weight358.46 g/mol
Exact Mass358.18
IUPAC Name7-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine
SMILESCc1cc2c3c(ccc2c2cccc(F)c12)CCCC3C.c1cnccn1
InChIInChI=1S/C20H19F.C4H4N2/c1-12-5-3-6-14-9-10-15-16-7-4-8-18(21)20(16)13(2)11-17(15)19(12)14;1-2-6-4-3-5-1/h4,7-12H,3,5-6H2,1-2H3;1-4H
InChIKeyBONBVEZEJINGAA-UHFFFAOYSA-N
XLogP6.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.46
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine?
The IUPAC name of 7-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine (CID 174412192) is 7-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine.
What is the SMILES notation for 7-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine?
The canonical SMILES for 7-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine is Cc1cc2c3c(ccc2c2cccc(F)c12)CCCC3C.c1cnccn1.
What is the InChIKey of 7-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine?
The InChIKey is BONBVEZEJINGAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F.C4H4N2/c1-12-5-3-6-14-9-10-15-16-7-4-8-18(21)20(16)13(2)11-17(15)19(12)14;1-2-6-4-3-5-1/h4,7-12H,3,5-6H2,1-2H3;1-4H.
What are the key properties of 7-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine?
7-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine has a molecular weight of 358.46 g/mol, XLogP of 6.36, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4,6-dimethyl-1,2,3,4-tetrahydrochrysene;pyrazine is sourced from PubChem (CID 174412192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).