4-fluoro-4-(2-methoxyethoxy)hepta-1,6-diene

C10H17FO2 — CID 155621741

IUPAC4-fluoro-4-(2-methoxyethoxy)hepta-1,6-diene
SMILESC=CCC(F)(CC=C)OCCOC
InChIInChI=1S/C10H17FO2/c1-4-6-10(11,7-5-2)13-9-8-12-3/h4-5H,1-2,6-9H2,3H3
InChIKeySRHAOMSNRJRUGX-UHFFFAOYSA-N
MW188.24 g/mol
LogP2.47
Rot. Bonds8

About 4-fluoro-4-(2-methoxyethoxy)hepta-1,6-diene

4-fluoro-4-(2-methoxyethoxy)hepta-1,6-diene (PubChem CID 155621741) has the molecular formula C10H17FO2 and a molecular weight of 188.24 g/mol. Its IUPAC name is 4-fluoro-4-(2-methoxyethoxy)hepta-1,6-diene.

Molecular Properties

Compound Name4-fluoro-4-(2-methoxyethoxy)hepta-1,6-diene
PubChem CID155621741
Molecular FormulaC10H17FO2
Molecular Weight188.24 g/mol
Exact Mass188.12
IUPAC Name4-fluoro-4-(2-methoxyethoxy)hepta-1,6-diene
SMILESC=CCC(F)(CC=C)OCCOC
InChIInChI=1S/C10H17FO2/c1-4-6-10(11,7-5-2)13-9-8-12-3/h4-5H,1-2,6-9H2,3H3
InChIKeySRHAOMSNRJRUGX-UHFFFAOYSA-N
XLogP2.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.24
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(2-methoxyethoxy)hepta-1,6-diene?
The IUPAC name of 4-fluoro-4-(2-methoxyethoxy)hepta-1,6-diene (CID 155621741) is 4-fluoro-4-(2-methoxyethoxy)hepta-1,6-diene.
What is the SMILES notation for 4-fluoro-4-(2-methoxyethoxy)hepta-1,6-diene?
The canonical SMILES for 4-fluoro-4-(2-methoxyethoxy)hepta-1,6-diene is C=CCC(F)(CC=C)OCCOC.
What is the InChIKey of 4-fluoro-4-(2-methoxyethoxy)hepta-1,6-diene?
The InChIKey is SRHAOMSNRJRUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17FO2/c1-4-6-10(11,7-5-2)13-9-8-12-3/h4-5H,1-2,6-9H2,3H3.
What are the key properties of 4-fluoro-4-(2-methoxyethoxy)hepta-1,6-diene?
4-fluoro-4-(2-methoxyethoxy)hepta-1,6-diene has a molecular weight of 188.24 g/mol, XLogP of 2.47, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(2-methoxyethoxy)hepta-1,6-diene is sourced from PubChem (CID 155621741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).