8-fluoro-3,6,10-trimethyltricyclo[8.1.0.02,4]undeca-4,7-diene

C14H19F — CID 123488534

IUPAC8-fluoro-3,6,10-trimethyltricyclo[8.1.0.02,4]undeca-4,7-diene
SMILESCC1C=C(F)CC2(C)CC2C2C(=C1)C2C
InChIInChI=1S/C14H19F/c1-8-4-10(15)6-14(3)7-12(14)13-9(2)11(13)5-8/h4-5,8-9,12-13H,6-7H2,1-3H3
InChIKeyTVAFMCZTFNDCGQ-UHFFFAOYSA-N
MW206.30 g/mol
LogP4.10
Rot. Bonds

About 8-fluoro-3,6,10-trimethyltricyclo[8.1.0.02,4]undeca-4,7-diene

8-fluoro-3,6,10-trimethyltricyclo[8.1.0.02,4]undeca-4,7-diene (PubChem CID 123488534) has the molecular formula C14H19F and a molecular weight of 206.30 g/mol. Its IUPAC name is 8-fluoro-3,6,10-trimethyltricyclo[8.1.0.02,4]undeca-4,7-diene.

Molecular Properties

Compound Name8-fluoro-3,6,10-trimethyltricyclo[8.1.0.02,4]undeca-4,7-diene
PubChem CID123488534
Molecular FormulaC14H19F
Molecular Weight206.30 g/mol
Exact Mass206.15
IUPAC Name8-fluoro-3,6,10-trimethyltricyclo[8.1.0.02,4]undeca-4,7-diene
SMILESCC1C=C(F)CC2(C)CC2C2C(=C1)C2C
InChIInChI=1S/C14H19F/c1-8-4-10(15)6-14(3)7-12(14)13-9(2)11(13)5-8/h4-5,8-9,12-13H,6-7H2,1-3H3
InChIKeyTVAFMCZTFNDCGQ-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.30
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 8-fluoro-3,6,10-trimethyltricyclo[8.1.0.02,4]undeca-4,7-diene?
The IUPAC name of 8-fluoro-3,6,10-trimethyltricyclo[8.1.0.02,4]undeca-4,7-diene (CID 123488534) is 8-fluoro-3,6,10-trimethyltricyclo[8.1.0.02,4]undeca-4,7-diene.
What is the SMILES notation for 8-fluoro-3,6,10-trimethyltricyclo[8.1.0.02,4]undeca-4,7-diene?
The canonical SMILES for 8-fluoro-3,6,10-trimethyltricyclo[8.1.0.02,4]undeca-4,7-diene is CC1C=C(F)CC2(C)CC2C2C(=C1)C2C.
What is the InChIKey of 8-fluoro-3,6,10-trimethyltricyclo[8.1.0.02,4]undeca-4,7-diene?
The InChIKey is TVAFMCZTFNDCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F/c1-8-4-10(15)6-14(3)7-12(14)13-9(2)11(13)5-8/h4-5,8-9,12-13H,6-7H2,1-3H3.
What are the key properties of 8-fluoro-3,6,10-trimethyltricyclo[8.1.0.02,4]undeca-4,7-diene?
8-fluoro-3,6,10-trimethyltricyclo[8.1.0.02,4]undeca-4,7-diene has a molecular weight of 206.30 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3,6,10-trimethyltricyclo[8.1.0.02,4]undeca-4,7-diene is sourced from PubChem (CID 123488534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).