1,5-difluoro-6-methyl-4-prop-2-ynoxyhepta-2,4-diene

C11H14F2O — CID 123190336

IUPAC1,5-difluoro-6-methyl-4-prop-2-ynoxyhepta-2,4-diene
SMILESC#CCOC(C=CCF)=C(F)C(C)C
InChIInChI=1S/C11H14F2O/c1-4-8-14-10(6-5-7-12)11(13)9(2)3/h1,5-6,9H,7-8H2,2-3H3
InChIKeyPGFDYHAZAGWBBV-UHFFFAOYSA-N
MW200.23 g/mol
LogP3.00
Rot. Bonds5

About 1,5-difluoro-6-methyl-4-prop-2-ynoxyhepta-2,4-diene

1,5-difluoro-6-methyl-4-prop-2-ynoxyhepta-2,4-diene (PubChem CID 123190336) has the molecular formula C11H14F2O and a molecular weight of 200.23 g/mol. Its IUPAC name is 1,5-difluoro-6-methyl-4-prop-2-ynoxyhepta-2,4-diene.

Molecular Properties

Compound Name1,5-difluoro-6-methyl-4-prop-2-ynoxyhepta-2,4-diene
PubChem CID123190336
Molecular FormulaC11H14F2O
Molecular Weight200.23 g/mol
Exact Mass200.10
IUPAC Name1,5-difluoro-6-methyl-4-prop-2-ynoxyhepta-2,4-diene
SMILESC#CCOC(C=CCF)=C(F)C(C)C
InChIInChI=1S/C11H14F2O/c1-4-8-14-10(6-5-7-12)11(13)9(2)3/h1,5-6,9H,7-8H2,2-3H3
InChIKeyPGFDYHAZAGWBBV-UHFFFAOYSA-N
XLogP3.00
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1,5-difluoro-6-methyl-4-prop-2-ynoxyhepta-2,4-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,5-difluoro-6-methyl-4-prop-2-ynoxyhepta-2,4-diene?
The IUPAC name of 1,5-difluoro-6-methyl-4-prop-2-ynoxyhepta-2,4-diene (CID 123190336) is 1,5-difluoro-6-methyl-4-prop-2-ynoxyhepta-2,4-diene.
What is the SMILES notation for 1,5-difluoro-6-methyl-4-prop-2-ynoxyhepta-2,4-diene?
The canonical SMILES for 1,5-difluoro-6-methyl-4-prop-2-ynoxyhepta-2,4-diene is C#CCOC(C=CCF)=C(F)C(C)C.
What is the InChIKey of 1,5-difluoro-6-methyl-4-prop-2-ynoxyhepta-2,4-diene?
The InChIKey is PGFDYHAZAGWBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2O/c1-4-8-14-10(6-5-7-12)11(13)9(2)3/h1,5-6,9H,7-8H2,2-3H3.
What are the key properties of 1,5-difluoro-6-methyl-4-prop-2-ynoxyhepta-2,4-diene?
1,5-difluoro-6-methyl-4-prop-2-ynoxyhepta-2,4-diene has a molecular weight of 200.23 g/mol, XLogP of 3.00, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-difluoro-6-methyl-4-prop-2-ynoxyhepta-2,4-diene is sourced from PubChem (CID 123190336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).