3-(3-fluoro-2-methylidenehexa-3,5-dienoxy)-1,5-dimethyl-2-methylidenepyridine

C15H18FNO — CID 123792333

IUPAC3-(3-fluoro-2-methylidenehexa-3,5-dienoxy)-1,5-dimethyl-2-methylidenepyridine
SMILESC=CC=C(F)C(=C)COC1=CC(C)=CN(C)C1=C
InChIInChI=1S/C15H18FNO/c1-6-7-14(16)12(3)10-18-15-8-11(2)9-17(5)13(15)4/h6-9H,1,3-4,10H2,2,5H3
InChIKeyHTARUIGSJFHVCM-UHFFFAOYSA-N
MW247.31 g/mol
LogP3.85
Rot. Bonds5

About 3-(3-fluoro-2-methylidenehexa-3,5-dienoxy)-1,5-dimethyl-2-methylidenepyridine

3-(3-fluoro-2-methylidenehexa-3,5-dienoxy)-1,5-dimethyl-2-methylidenepyridine (PubChem CID 123792333) has the molecular formula C15H18FNO and a molecular weight of 247.31 g/mol. Its IUPAC name is 3-(3-fluoro-2-methylidenehexa-3,5-dienoxy)-1,5-dimethyl-2-methylidenepyridine.

Molecular Properties

Compound Name3-(3-fluoro-2-methylidenehexa-3,5-dienoxy)-1,5-dimethyl-2-methylidenepyridine
PubChem CID123792333
Molecular FormulaC15H18FNO
Molecular Weight247.31 g/mol
Exact Mass247.14
IUPAC Name3-(3-fluoro-2-methylidenehexa-3,5-dienoxy)-1,5-dimethyl-2-methylidenepyridine
SMILESC=CC=C(F)C(=C)COC1=CC(C)=CN(C)C1=C
InChIInChI=1S/C15H18FNO/c1-6-7-14(16)12(3)10-18-15-8-11(2)9-17(5)13(15)4/h6-9H,1,3-4,10H2,2,5H3
InChIKeyHTARUIGSJFHVCM-UHFFFAOYSA-N
XLogP3.85
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(Difluoromethoxy)-1,5-dimethyl-2-methylidenepyridine
CID 164117242
(2Z,5E)-N-(fluoromethyl)-5-methoxy-N-methyl-4-methylideneocta-2,5,7-trien-2-amine
CID 166906897
3-Methoxy-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine
CID 157089353
1-(2,2-Difluoroethyl)-3-methoxy-5-methyl-2-methylidenepyridine
CID 162194484
(2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine
CID 164910600
5-[(E)-but-1-enyl]-3-ethoxy-1-methyl-2H-pyridine
CID 68757725
3-Methoxy-5-methyl-2-methylidene-1-prop-1-en-2-ylpyridine
CID 130255753
ethane;(3E)-3-methoxy-N-(2-methoxyethyl)-N,5-dimethylhexa-1,3,5-trien-2-amine
CID 144607397
(2E)-2-butylidene-3-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 144782762
4-methyl-5-[(E)-pent-2-en-2-yl]-2,3-dihydropyrano[3,2-b]pyridine
CID 145393840
(7Z)-1-methyl-2-[[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxymethyl]-5,6-dihydro-2H-azocine
CID 155000786
(2Z)-2-ethylidene-4-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine
CID 164585039

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-methylidenehexa-3,5-dienoxy)-1,5-dimethyl-2-methylidenepyridine?
The IUPAC name of 3-(3-fluoro-2-methylidenehexa-3,5-dienoxy)-1,5-dimethyl-2-methylidenepyridine (CID 123792333) is 3-(3-fluoro-2-methylidenehexa-3,5-dienoxy)-1,5-dimethyl-2-methylidenepyridine.
What is the SMILES notation for 3-(3-fluoro-2-methylidenehexa-3,5-dienoxy)-1,5-dimethyl-2-methylidenepyridine?
The canonical SMILES for 3-(3-fluoro-2-methylidenehexa-3,5-dienoxy)-1,5-dimethyl-2-methylidenepyridine is C=CC=C(F)C(=C)COC1=CC(C)=CN(C)C1=C.
What is the InChIKey of 3-(3-fluoro-2-methylidenehexa-3,5-dienoxy)-1,5-dimethyl-2-methylidenepyridine?
The InChIKey is HTARUIGSJFHVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FNO/c1-6-7-14(16)12(3)10-18-15-8-11(2)9-17(5)13(15)4/h6-9H,1,3-4,10H2,2,5H3.
What are the key properties of 3-(3-fluoro-2-methylidenehexa-3,5-dienoxy)-1,5-dimethyl-2-methylidenepyridine?
3-(3-fluoro-2-methylidenehexa-3,5-dienoxy)-1,5-dimethyl-2-methylidenepyridine has a molecular weight of 247.31 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-methylidenehexa-3,5-dienoxy)-1,5-dimethyl-2-methylidenepyridine is sourced from PubChem (CID 123792333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).