6-(6-fluoroheptyl)-2-prop-2-enylquinoxaline

C18H23FN2 — CID 67636557

IUPAC6-(6-fluoroheptyl)-2-prop-2-enylquinoxaline
SMILESC=CCc1cnc2cc(CCCCCC(C)F)ccc2n1
InChIInChI=1S/C18H23FN2/c1-3-7-16-13-20-18-12-15(10-11-17(18)21-16)9-6-4-5-8-14(2)19/h3,10-14H,1,4-9H2,2H3
InChIKeyKCVRALBVXWCTKT-UHFFFAOYSA-N
MW286.39 g/mol
LogP4.82
Rot. Bonds8

About 6-(6-fluoroheptyl)-2-prop-2-enylquinoxaline

6-(6-fluoroheptyl)-2-prop-2-enylquinoxaline (PubChem CID 67636557) has the molecular formula C18H23FN2 and a molecular weight of 286.39 g/mol. Its IUPAC name is 6-(6-fluoroheptyl)-2-prop-2-enylquinoxaline.

Molecular Properties

Compound Name6-(6-fluoroheptyl)-2-prop-2-enylquinoxaline
PubChem CID67636557
Molecular FormulaC18H23FN2
Molecular Weight286.39 g/mol
Exact Mass286.18
IUPAC Name6-(6-fluoroheptyl)-2-prop-2-enylquinoxaline
SMILESC=CCc1cnc2cc(CCCCCC(C)F)ccc2n1
InChIInChI=1S/C18H23FN2/c1-3-7-16-13-20-18-12-15(10-11-17(18)21-16)9-6-4-5-8-14(2)19/h3,10-14H,1,4-9H2,2H3
InChIKeyKCVRALBVXWCTKT-UHFFFAOYSA-N
XLogP4.82
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(6-fluorohept-1-ynyl)-2-prop-2-enylquinoxaline
CID 67637129
2-[4-(6-fluoroheptyl)-2-prop-2-enylphenyl]quinoline
CID 67636311
3-[4-(6-fluoroheptyl)phenyl]-6-(4-prop-2-enylphenyl)pyridazine
CID 70128253
2-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]quinoline
CID 67637994
3-(6-fluoroheptyl)-6-(4-prop-2-enylphenyl)pyridazine
CID 67637563
1-(6-fluoroheptyl)-4-(4-prop-2-enoxyphenyl)benzene
CID 67636516
3-[4-(6-fluoroheptyl)-2-prop-2-enoxyphenyl]pyridine
CID 67638405
7-[2,3-difluoro-4-(2-prop-2-enylquinoxalin-6-yl)phenyl]hept-6-en-2-ol
CID 70263046
6-[3-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-2-prop-2-enylquinoxaline
CID 70265419
2-(4-decylphenyl)-6-octylquinoxaline
CID 59933390
2-[4-(4-fluoropentyl)phenyl]-5-nonylpyrimidine
CID 139691675
2-[4-(4-fluoropentyl)phenyl]-5-octylpyrimidine
CID 139691673

Frequently Asked Questions

What is the IUPAC name of 6-(6-fluoroheptyl)-2-prop-2-enylquinoxaline?
The IUPAC name of 6-(6-fluoroheptyl)-2-prop-2-enylquinoxaline (CID 67636557) is 6-(6-fluoroheptyl)-2-prop-2-enylquinoxaline.
What is the SMILES notation for 6-(6-fluoroheptyl)-2-prop-2-enylquinoxaline?
The canonical SMILES for 6-(6-fluoroheptyl)-2-prop-2-enylquinoxaline is C=CCc1cnc2cc(CCCCCC(C)F)ccc2n1.
What is the InChIKey of 6-(6-fluoroheptyl)-2-prop-2-enylquinoxaline?
The InChIKey is KCVRALBVXWCTKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN2/c1-3-7-16-13-20-18-12-15(10-11-17(18)21-16)9-6-4-5-8-14(2)19/h3,10-14H,1,4-9H2,2H3.
What are the key properties of 6-(6-fluoroheptyl)-2-prop-2-enylquinoxaline?
6-(6-fluoroheptyl)-2-prop-2-enylquinoxaline has a molecular weight of 286.39 g/mol, XLogP of 4.82, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-fluoroheptyl)-2-prop-2-enylquinoxaline is sourced from PubChem (CID 67636557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).