1-fluoro-4-[2-(4-methylidenecycloheptyl)ethoxy]bicyclo[4.1.0]hepta-2,4-diene

C17H23FO — CID 143552609

IUPAC1-fluoro-4-[2-(4-methylidenecycloheptyl)ethoxy]bicyclo[4.1.0]hepta-2,4-diene
SMILESC=C1CCCC(CCOC2=CC3CC3(F)C=C2)CC1
InChIInChI=1S/C17H23FO/c1-13-3-2-4-14(6-5-13)8-10-19-16-7-9-17(18)12-15(17)11-16/h7,9,11,14-15H,1-6,8,10,12H2
InChIKeyZRFDDNQVZSWECL-UHFFFAOYSA-N
MW262.37 g/mol
LogP4.71
Rot. Bonds4

About 1-fluoro-4-[2-(4-methylidenecycloheptyl)ethoxy]bicyclo[4.1.0]hepta-2,4-diene

1-fluoro-4-[2-(4-methylidenecycloheptyl)ethoxy]bicyclo[4.1.0]hepta-2,4-diene (PubChem CID 143552609) has the molecular formula C17H23FO and a molecular weight of 262.37 g/mol. Its IUPAC name is 1-fluoro-4-[2-(4-methylidenecycloheptyl)ethoxy]bicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name1-fluoro-4-[2-(4-methylidenecycloheptyl)ethoxy]bicyclo[4.1.0]hepta-2,4-diene
PubChem CID143552609
Molecular FormulaC17H23FO
Molecular Weight262.37 g/mol
Exact Mass262.17
IUPAC Name1-fluoro-4-[2-(4-methylidenecycloheptyl)ethoxy]bicyclo[4.1.0]hepta-2,4-diene
SMILESC=C1CCCC(CCOC2=CC3CC3(F)C=C2)CC1
InChIInChI=1S/C17H23FO/c1-13-3-2-4-14(6-5-13)8-10-19-16-7-9-17(18)12-15(17)11-16/h7,9,11,14-15H,1-6,8,10,12H2
InChIKeyZRFDDNQVZSWECL-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[2-(4-methylidenecycloheptyl)ethoxy]bicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 1-fluoro-4-[2-(4-methylidenecycloheptyl)ethoxy]bicyclo[4.1.0]hepta-2,4-diene (CID 143552609) is 1-fluoro-4-[2-(4-methylidenecycloheptyl)ethoxy]bicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 1-fluoro-4-[2-(4-methylidenecycloheptyl)ethoxy]bicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 1-fluoro-4-[2-(4-methylidenecycloheptyl)ethoxy]bicyclo[4.1.0]hepta-2,4-diene is C=C1CCCC(CCOC2=CC3CC3(F)C=C2)CC1.
What is the InChIKey of 1-fluoro-4-[2-(4-methylidenecycloheptyl)ethoxy]bicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is ZRFDDNQVZSWECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FO/c1-13-3-2-4-14(6-5-13)8-10-19-16-7-9-17(18)12-15(17)11-16/h7,9,11,14-15H,1-6,8,10,12H2.
What are the key properties of 1-fluoro-4-[2-(4-methylidenecycloheptyl)ethoxy]bicyclo[4.1.0]hepta-2,4-diene?
1-fluoro-4-[2-(4-methylidenecycloheptyl)ethoxy]bicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 262.37 g/mol, XLogP of 4.71, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[2-(4-methylidenecycloheptyl)ethoxy]bicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 143552609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).