5-[4-[(E)-6-fluorohept-1-enyl]phenyl]-2-prop-2-enylpyridine

C21H24FN — CID 70128764

IUPAC5-[4-[(E)-6-fluorohept-1-enyl]phenyl]-2-prop-2-enylpyridine
SMILESC=CCc1ccc(-c2ccc(/C=C/CCCC(C)F)cc2)cn1
InChIInChI=1S/C21H24FN/c1-3-7-21-15-14-20(16-23-21)19-12-10-18(11-13-19)9-6-4-5-8-17(2)22/h3,6,9-17H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyBXOPZOVVLLMERA-RMKNXTFCSA-N
MW309.43 g/mol
LogP6.02
Rot. Bonds8

About 5-[4-[(E)-6-fluorohept-1-enyl]phenyl]-2-prop-2-enylpyridine

5-[4-[(E)-6-fluorohept-1-enyl]phenyl]-2-prop-2-enylpyridine (PubChem CID 70128764) has the molecular formula C21H24FN and a molecular weight of 309.43 g/mol. Its IUPAC name is 5-[4-[(E)-6-fluorohept-1-enyl]phenyl]-2-prop-2-enylpyridine.

Molecular Properties

Compound Name5-[4-[(E)-6-fluorohept-1-enyl]phenyl]-2-prop-2-enylpyridine
PubChem CID70128764
Molecular FormulaC21H24FN
Molecular Weight309.43 g/mol
Exact Mass309.19
IUPAC Name5-[4-[(E)-6-fluorohept-1-enyl]phenyl]-2-prop-2-enylpyridine
SMILESC=CCc1ccc(-c2ccc(/C=C/CCCC(C)F)cc2)cn1
InChIInChI=1S/C21H24FN/c1-3-7-21-15-14-20(16-23-21)19-12-10-18(11-13-19)9-6-4-5-8-17(2)22/h3,6,9-17H,1,4-5,7-8H2,2H3/b9-6+
InChIKeyBXOPZOVVLLMERA-RMKNXTFCSA-N
XLogP6.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.43
LogP ≤ 56.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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

7-[4-[4-(6-prop-2-enyl-3-pyridinyl)phenyl]phenyl]hept-6-en-2-ol
CID 70263140
2-[4-[4-(6-fluorohept-1-enyl)phenyl]phenyl]-5-prop-2-enylpyrimidine
CID 70128519
3-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-(4-prop-2-enylphenyl)pyridazine
CID 70127876
5-[4-(6-fluorohept-1-enyl)phenyl]-2-(4-prop-2-enoxyphenyl)pyrimidine
CID 70127662
2-[4-[4-[(E)-6-fluorohept-1-enyl]phenyl]phenyl]-5-prop-2-enoxypyridine
CID 70129649
2-[4-[4-(6-fluorohept-1-enyl)phenyl]phenyl]-5-prop-2-enoxypyrazine
CID 70128950
7-[4-[5-(4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70262911
2-[4-[(E)-6-fluorohept-1-enyl]phenyl]-6-prop-2-enylquinoline
CID 70127709
3-[4-[(E)-6-fluorohept-1-enyl]phenyl]-7-prop-2-enoxyisoquinoline
CID 70126664
(E)-7-[4-(5-prop-2-enyl-2-pyridinyl)phenyl]hept-6-en-2-ol
CID 70264345
(E)-7-[4-[5-(3-fluoro-4-prop-2-enylphenyl)pyrimidin-2-yl]phenyl]hept-6-en-2-ol
CID 70260977
(E)-7-[4-[5-(2,3-difluoro-4-prop-2-enylphenyl)-2-pyridinyl]phenyl]hept-6-en-2-ol
CID 70263841

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(E)-6-fluorohept-1-enyl]phenyl]-2-prop-2-enylpyridine?
The IUPAC name of 5-[4-[(E)-6-fluorohept-1-enyl]phenyl]-2-prop-2-enylpyridine (CID 70128764) is 5-[4-[(E)-6-fluorohept-1-enyl]phenyl]-2-prop-2-enylpyridine.
What is the SMILES notation for 5-[4-[(E)-6-fluorohept-1-enyl]phenyl]-2-prop-2-enylpyridine?
The canonical SMILES for 5-[4-[(E)-6-fluorohept-1-enyl]phenyl]-2-prop-2-enylpyridine is C=CCc1ccc(-c2ccc(/C=C/CCCC(C)F)cc2)cn1.
What is the InChIKey of 5-[4-[(E)-6-fluorohept-1-enyl]phenyl]-2-prop-2-enylpyridine?
The InChIKey is BXOPZOVVLLMERA-RMKNXTFCSA-N. The full InChI is InChI=1S/C21H24FN/c1-3-7-21-15-14-20(16-23-21)19-12-10-18(11-13-19)9-6-4-5-8-17(2)22/h3,6,9-17H,1,4-5,7-8H2,2H3/b9-6+.
What are the key properties of 5-[4-[(E)-6-fluorohept-1-enyl]phenyl]-2-prop-2-enylpyridine?
5-[4-[(E)-6-fluorohept-1-enyl]phenyl]-2-prop-2-enylpyridine has a molecular weight of 309.43 g/mol, XLogP of 6.02, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(E)-6-fluorohept-1-enyl]phenyl]-2-prop-2-enylpyridine is sourced from PubChem (CID 70128764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).