1-ethyl-6-(2-fluoro-4-prop-2-enoxyphenyl)-3-methyl-2-methylidenepyridine

C18H20FNO — CID 159262861

IUPAC1-ethyl-6-(2-fluoro-4-prop-2-enoxyphenyl)-3-methyl-2-methylidenepyridine
SMILESC=CCOc1ccc(C2=CC=C(C)C(=C)N2CC)c(F)c1
InChIInChI=1S/C18H20FNO/c1-5-11-21-15-8-9-16(17(19)12-15)18-10-7-13(3)14(4)20(18)6-2/h5,7-10,12H,1,4,6,11H2,2-3H3
InChIKeyBOWYOFFJXXJZAQ-UHFFFAOYSA-N
MW285.36 g/mol
LogP4.53
Rot. Bonds5

About 1-ethyl-6-(2-fluoro-4-prop-2-enoxyphenyl)-3-methyl-2-methylidenepyridine

1-ethyl-6-(2-fluoro-4-prop-2-enoxyphenyl)-3-methyl-2-methylidenepyridine (PubChem CID 159262861) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is 1-ethyl-6-(2-fluoro-4-prop-2-enoxyphenyl)-3-methyl-2-methylidenepyridine.

Molecular Properties

Compound Name1-ethyl-6-(2-fluoro-4-prop-2-enoxyphenyl)-3-methyl-2-methylidenepyridine
PubChem CID159262861
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name1-ethyl-6-(2-fluoro-4-prop-2-enoxyphenyl)-3-methyl-2-methylidenepyridine
SMILESC=CCOc1ccc(C2=CC=C(C)C(=C)N2CC)c(F)c1
InChIInChI=1S/C18H20FNO/c1-5-11-21-15-8-9-16(17(19)12-15)18-10-7-13(3)14(4)20(18)6-2/h5,7-10,12H,1,4,6,11H2,2-3H3
InChIKeyBOWYOFFJXXJZAQ-UHFFFAOYSA-N
XLogP4.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-difluoroethyl)-2-(2-fluoro-4-prop-2-enoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 158191537
3-chloro-1-ethyl-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine
CID 159372256
1-ethoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene
CID 118191513
1-ethyl-2-(2-fluoro-4-prop-2-ynoxyphenyl)-5-methyl-6-methylidene-3H-pyridin-3-ide;yttrium
CID 160771850
1-butoxy-2,3-difluoro-4-(2-fluoro-4-prop-2-enoxyphenyl)benzene
CID 118191516
2-fluoro-4-prop-2-enoxyphenol
CID 169297964
3-chloro-1-(2,2-difluoroethyl)-6-[2-fluoro-4-(methylsulfanylmethoxy)phenyl]-2-methylidenepyridine
CID 159934092
3-chloro-1-(2,2-difluoroethyl)-6-[2-fluoro-4-(2-methoxyethoxy)phenyl]-2-methylidenepyridine
CID 161316717
6-(4-bromophenyl)-1-ethyl-3-methyl-2-methylidenepyridine
CID 149001165
6-(2-chloro-4-prop-2-enoxyphenyl)-1-ethyl-3,4-dihydropyridin-2-one
CID 153451217
(1R)-1-(2-fluoro-4-prop-2-enoxyphenyl)ethanol
CID 107719948
5-bromo-1-ethyl-2-[2-fluoro-4-(methoxymethoxy)phenyl]-6-methylidene-3H-pyridin-3-ide;yttrium
CID 162077228

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6-(2-fluoro-4-prop-2-enoxyphenyl)-3-methyl-2-methylidenepyridine?
The IUPAC name of 1-ethyl-6-(2-fluoro-4-prop-2-enoxyphenyl)-3-methyl-2-methylidenepyridine (CID 159262861) is 1-ethyl-6-(2-fluoro-4-prop-2-enoxyphenyl)-3-methyl-2-methylidenepyridine.
What is the SMILES notation for 1-ethyl-6-(2-fluoro-4-prop-2-enoxyphenyl)-3-methyl-2-methylidenepyridine?
The canonical SMILES for 1-ethyl-6-(2-fluoro-4-prop-2-enoxyphenyl)-3-methyl-2-methylidenepyridine is C=CCOc1ccc(C2=CC=C(C)C(=C)N2CC)c(F)c1.
What is the InChIKey of 1-ethyl-6-(2-fluoro-4-prop-2-enoxyphenyl)-3-methyl-2-methylidenepyridine?
The InChIKey is BOWYOFFJXXJZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO/c1-5-11-21-15-8-9-16(17(19)12-15)18-10-7-13(3)14(4)20(18)6-2/h5,7-10,12H,1,4,6,11H2,2-3H3.
What are the key properties of 1-ethyl-6-(2-fluoro-4-prop-2-enoxyphenyl)-3-methyl-2-methylidenepyridine?
1-ethyl-6-(2-fluoro-4-prop-2-enoxyphenyl)-3-methyl-2-methylidenepyridine has a molecular weight of 285.36 g/mol, XLogP of 4.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6-(2-fluoro-4-prop-2-enoxyphenyl)-3-methyl-2-methylidenepyridine is sourced from PubChem (CID 159262861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).