2-decyl-5-(3-fluoro-4-hexoxyphenyl)pyrazine

C26H39FN2O — CID 139625367

IUPAC2-decyl-5-(3-fluoro-4-hexoxyphenyl)pyrazine
SMILESCCCCCCCCCCc1cnc(-c2ccc(OCCCCCC)c(F)c2)cn1
InChIInChI=1S/C26H39FN2O/c1-3-5-7-9-10-11-12-13-15-23-20-29-25(21-28-23)22-16-17-26(24(27)19-22)30-18-14-8-6-4-2/h16-17,19-21H,3-15,18H2,1-2H3
InChIKeySJVJQAWLPKAUDS-UHFFFAOYSA-N
MW414.61 g/mol
LogP7.93
Rot. Bonds16

About 2-decyl-5-(3-fluoro-4-hexoxyphenyl)pyrazine

2-decyl-5-(3-fluoro-4-hexoxyphenyl)pyrazine (PubChem CID 139625367) has the molecular formula C26H39FN2O and a molecular weight of 414.61 g/mol. Its IUPAC name is 2-decyl-5-(3-fluoro-4-hexoxyphenyl)pyrazine.

Molecular Properties

Compound Name2-decyl-5-(3-fluoro-4-hexoxyphenyl)pyrazine
PubChem CID139625367
Molecular FormulaC26H39FN2O
Molecular Weight414.61 g/mol
Exact Mass414.30
IUPAC Name2-decyl-5-(3-fluoro-4-hexoxyphenyl)pyrazine
SMILESCCCCCCCCCCc1cnc(-c2ccc(OCCCCCC)c(F)c2)cn1
InChIInChI=1S/C26H39FN2O/c1-3-5-7-9-10-11-12-13-15-23-20-29-25(21-28-23)22-16-17-26(24(27)19-22)30-18-14-8-6-4-2/h16-17,19-21H,3-15,18H2,1-2H3
InChIKeySJVJQAWLPKAUDS-UHFFFAOYSA-N
XLogP7.93
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.61
LogP ≤ 57.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluoro-4-heptoxyphenyl)-5-pentylpyrazine
CID 139625420
2-butyl-5-(3-fluoro-4-heptoxyphenyl)pyrazine
CID 139625361
2-(4-butoxy-3-fluorophenyl)-5-undecylpyrazine
CID 139625410
2-(4-dodecoxy-3-fluorophenyl)-5-pentylpyridine
CID 21286203
2-(3-fluoro-4-octadecoxyphenyl)-5-octylpyridine
CID 21286212
5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine
CID 21286166
5-ethyl-2-(3-fluoro-4-octadecoxyphenyl)pyridine
CID 21286193
2-(3-fluoro-4-hexoxyphenyl)-5-pentylpyrimidine
CID 21270951
2-fluoro-1-hexoxy-4-[4-(4-pentylphenyl)phenyl]benzene
CID 101490841
2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine
CID 19850593
3-[2-(4-ethylcyclohexyl)ethyl]-6-(3-fluoro-4-hexoxyphenyl)pyridazine
CID 139778798
2-fluoro-4-[2-(3-fluoro-4-heptylphenyl)phenyl]-1-octoxybenzene
CID 161025706

Frequently Asked Questions

What is the IUPAC name of 2-decyl-5-(3-fluoro-4-hexoxyphenyl)pyrazine?
The IUPAC name of 2-decyl-5-(3-fluoro-4-hexoxyphenyl)pyrazine (CID 139625367) is 2-decyl-5-(3-fluoro-4-hexoxyphenyl)pyrazine.
What is the SMILES notation for 2-decyl-5-(3-fluoro-4-hexoxyphenyl)pyrazine?
The canonical SMILES for 2-decyl-5-(3-fluoro-4-hexoxyphenyl)pyrazine is CCCCCCCCCCc1cnc(-c2ccc(OCCCCCC)c(F)c2)cn1.
What is the InChIKey of 2-decyl-5-(3-fluoro-4-hexoxyphenyl)pyrazine?
The InChIKey is SJVJQAWLPKAUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39FN2O/c1-3-5-7-9-10-11-12-13-15-23-20-29-25(21-28-23)22-16-17-26(24(27)19-22)30-18-14-8-6-4-2/h16-17,19-21H,3-15,18H2,1-2H3.
What are the key properties of 2-decyl-5-(3-fluoro-4-hexoxyphenyl)pyrazine?
2-decyl-5-(3-fluoro-4-hexoxyphenyl)pyrazine has a molecular weight of 414.61 g/mol, XLogP of 7.93, 16 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-5-(3-fluoro-4-hexoxyphenyl)pyrazine is sourced from PubChem (CID 139625367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).