2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine

C26H34FNO2 — CID 70265327

IUPAC2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine
SMILESC=CCOc1ccc(-c2ccc(C=CCCCC(C)OCCCCC)cc2F)nc1
InChIInChI=1S/C26H34FNO2/c1-4-6-10-18-29-21(3)11-8-7-9-12-22-13-15-24(25(27)19-22)26-16-14-23(20-28-26)30-17-5-2/h5,9,12-16,19-21H,2,4,6-8,10-11,17-18H2,1,3H3
InChIKeyVSYDCQLMGBAUBS-UHFFFAOYSA-N
MW411.56 g/mol
LogP7.23
Rot. Bonds14

About 2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine

2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine (PubChem CID 70265327) has the molecular formula C26H34FNO2 and a molecular weight of 411.56 g/mol. Its IUPAC name is 2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine.

Molecular Properties

Compound Name2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine
PubChem CID70265327
Molecular FormulaC26H34FNO2
Molecular Weight411.56 g/mol
Exact Mass411.26
IUPAC Name2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine
SMILESC=CCOc1ccc(-c2ccc(C=CCCCC(C)OCCCCC)cc2F)nc1
InChIInChI=1S/C26H34FNO2/c1-4-6-10-18-29-21(3)11-8-7-9-12-22-13-15-24(25(27)19-22)26-16-14-23(20-28-26)30-17-5-2/h5,9,12-16,19-21H,2,4,6-8,10-11,17-18H2,1,3H3
InChIKeyVSYDCQLMGBAUBS-UHFFFAOYSA-N
XLogP7.23
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.56
LogP ≤ 57.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

5-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-2-(4-prop-2-enoxyphenyl)pyrimidine
CID 70265189
3-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-6-prop-2-enoxypyridazine
CID 70263112
6-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]pyridin-3-ol
CID 70262722
2-fluoro-4-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]-1-(4-prop-2-enoxyphenyl)benzene
CID 70260699
5-[4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(5-prop-2-enoxy-2-pyridinyl)pyrimidine
CID 70263998
3-fluoro-4-[5-(6-pentoxyhept-1-enyl)-2-pyridinyl]phenol
CID 173288698
5-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-2-(4-prop-2-enylphenyl)pyridine
CID 70263243
1-(6-pentoxyhept-1-enyl)-4-[4-(4-prop-2-enoxyphenyl)phenyl]benzene
CID 70263182
3-[4-(6-pentoxyhept-1-enyl)phenyl]-6-(4-prop-2-enoxyphenyl)pyridazine
CID 70260677
2-[2-fluoro-4-[(E)-6-pentoxyhept-1-enyl]phenyl]-6-prop-2-enylquinoline
CID 70264415
(E)-7-[6-(2-fluoro-4-prop-2-enoxyphenyl)-3-pyridinyl]hept-6-en-2-ol
CID 70265240
2-[(E)-6-pentoxyhept-1-enyl]-5-(4-prop-2-enoxyphenyl)pyrimidine
CID 70263167

Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine?
The IUPAC name of 2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine (CID 70265327) is 2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine.
What is the SMILES notation for 2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine?
The canonical SMILES for 2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine is C=CCOc1ccc(-c2ccc(C=CCCCC(C)OCCCCC)cc2F)nc1.
What is the InChIKey of 2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine?
The InChIKey is VSYDCQLMGBAUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34FNO2/c1-4-6-10-18-29-21(3)11-8-7-9-12-22-13-15-24(25(27)19-22)26-16-14-23(20-28-26)30-17-5-2/h5,9,12-16,19-21H,2,4,6-8,10-11,17-18H2,1,3H3.
What are the key properties of 2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine?
2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine has a molecular weight of 411.56 g/mol, XLogP of 7.23, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-(6-pentoxyhept-1-enyl)phenyl]-5-prop-2-enoxypyridine is sourced from PubChem (CID 70265327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).