7-fluoro-7-methylbicyclo[3.2.0]hept-2-en-6-one

C8H9FO — CID 134919860

IUPAC7-fluoro-7-methylbicyclo[3.2.0]hept-2-en-6-one
SMILESCC1(F)C(=O)C2CC=CC21
InChIInChI=1S/C8H9FO/c1-8(9)6-4-2-3-5(6)7(8)10/h2,4-6H,3H2,1H3
InChIKeyCMPMXRHAWYUGNI-UHFFFAOYSA-N
MW140.16 g/mol
LogP1.49
Rot. Bonds

About 7-fluoro-7-methylbicyclo[3.2.0]hept-2-en-6-one

7-fluoro-7-methylbicyclo[3.2.0]hept-2-en-6-one (PubChem CID 134919860) has the molecular formula C8H9FO and a molecular weight of 140.16 g/mol. Its IUPAC name is 7-fluoro-7-methylbicyclo[3.2.0]hept-2-en-6-one.

Molecular Properties

Compound Name7-fluoro-7-methylbicyclo[3.2.0]hept-2-en-6-one
PubChem CID134919860
Molecular FormulaC8H9FO
Molecular Weight140.16 g/mol
Exact Mass140.06
IUPAC Name7-fluoro-7-methylbicyclo[3.2.0]hept-2-en-6-one
SMILESCC1(F)C(=O)C2CC=CC21
InChIInChI=1S/C8H9FO/c1-8(9)6-4-2-3-5(6)7(8)10/h2,4-6H,3H2,1H3
InChIKeyCMPMXRHAWYUGNI-UHFFFAOYSA-N
XLogP1.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.49
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 7-fluoro-7-methylbicyclo[3.2.0]hept-2-en-6-one?
The IUPAC name of 7-fluoro-7-methylbicyclo[3.2.0]hept-2-en-6-one (CID 134919860) is 7-fluoro-7-methylbicyclo[3.2.0]hept-2-en-6-one.
What is the SMILES notation for 7-fluoro-7-methylbicyclo[3.2.0]hept-2-en-6-one?
The canonical SMILES for 7-fluoro-7-methylbicyclo[3.2.0]hept-2-en-6-one is CC1(F)C(=O)C2CC=CC21.
What is the InChIKey of 7-fluoro-7-methylbicyclo[3.2.0]hept-2-en-6-one?
The InChIKey is CMPMXRHAWYUGNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FO/c1-8(9)6-4-2-3-5(6)7(8)10/h2,4-6H,3H2,1H3.
What are the key properties of 7-fluoro-7-methylbicyclo[3.2.0]hept-2-en-6-one?
7-fluoro-7-methylbicyclo[3.2.0]hept-2-en-6-one has a molecular weight of 140.16 g/mol, XLogP of 1.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-7-methylbicyclo[3.2.0]hept-2-en-6-one is sourced from PubChem (CID 134919860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).