1-fluoro-2,3,4-trimethylbicyclo[2.2.1]hept-2-ene

C10H15F — CID 123922103

IUPAC1-fluoro-2,3,4-trimethylbicyclo[2.2.1]hept-2-ene
SMILESCC1=C(C)C2(F)CCC1(C)C2
InChIInChI=1S/C10H15F/c1-7-8(2)10(11)5-4-9(7,3)6-10/h4-6H2,1-3H3
InChIKeyWAGKMCWGFFAIGM-UHFFFAOYSA-N
MW154.23 g/mol
LogP3.23
Rot. Bonds

About 1-fluoro-2,3,4-trimethylbicyclo[2.2.1]hept-2-ene

1-fluoro-2,3,4-trimethylbicyclo[2.2.1]hept-2-ene (PubChem CID 123922103) has the molecular formula C10H15F and a molecular weight of 154.23 g/mol. Its IUPAC name is 1-fluoro-2,3,4-trimethylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name1-fluoro-2,3,4-trimethylbicyclo[2.2.1]hept-2-ene
PubChem CID123922103
Molecular FormulaC10H15F
Molecular Weight154.23 g/mol
Exact Mass154.12
IUPAC Name1-fluoro-2,3,4-trimethylbicyclo[2.2.1]hept-2-ene
SMILESCC1=C(C)C2(F)CCC1(C)C2
InChIInChI=1S/C10H15F/c1-7-8(2)10(11)5-4-9(7,3)6-10/h4-6H2,1-3H3
InChIKeyWAGKMCWGFFAIGM-UHFFFAOYSA-N
XLogP3.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.23
LogP ≤ 53.23
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 1-fluoro-2,3,4-trimethylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 1-fluoro-2,3,4-trimethylbicyclo[2.2.1]hept-2-ene (CID 123922103) is 1-fluoro-2,3,4-trimethylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 1-fluoro-2,3,4-trimethylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 1-fluoro-2,3,4-trimethylbicyclo[2.2.1]hept-2-ene is CC1=C(C)C2(F)CCC1(C)C2.
What is the InChIKey of 1-fluoro-2,3,4-trimethylbicyclo[2.2.1]hept-2-ene?
The InChIKey is WAGKMCWGFFAIGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F/c1-7-8(2)10(11)5-4-9(7,3)6-10/h4-6H2,1-3H3.
What are the key properties of 1-fluoro-2,3,4-trimethylbicyclo[2.2.1]hept-2-ene?
1-fluoro-2,3,4-trimethylbicyclo[2.2.1]hept-2-ene has a molecular weight of 154.23 g/mol, XLogP of 3.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,3,4-trimethylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 123922103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).