2-fluoro-4-methylbicyclo[4.1.0]heptane

C8H13F — CID 123832026

IUPAC2-fluoro-4-methylbicyclo[4.1.0]heptane
SMILESCC1CC(F)C2CC2C1
InChIInChI=1S/C8H13F/c1-5-2-6-4-7(6)8(9)3-5/h5-8H,2-4H2,1H3
InChIKeyTVMQGEUNKOHLRK-UHFFFAOYSA-N
MW128.19 g/mol
LogP2.39
Rot. Bonds

About 2-fluoro-4-methylbicyclo[4.1.0]heptane

2-fluoro-4-methylbicyclo[4.1.0]heptane (PubChem CID 123832026) has the molecular formula C8H13F and a molecular weight of 128.19 g/mol. Its IUPAC name is 2-fluoro-4-methylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name2-fluoro-4-methylbicyclo[4.1.0]heptane
PubChem CID123832026
Molecular FormulaC8H13F
Molecular Weight128.19 g/mol
Exact Mass128.10
IUPAC Name2-fluoro-4-methylbicyclo[4.1.0]heptane
SMILESCC1CC(F)C2CC2C1
InChIInChI=1S/C8H13F/c1-5-2-6-4-7(6)8(9)3-5/h5-8H,2-4H2,1H3
InChIKeyTVMQGEUNKOHLRK-UHFFFAOYSA-N
XLogP2.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.19
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-fluoro-4-methylbicyclo[4.1.0]heptane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methylbicyclo[4.1.0]heptane?
The IUPAC name of 2-fluoro-4-methylbicyclo[4.1.0]heptane (CID 123832026) is 2-fluoro-4-methylbicyclo[4.1.0]heptane.
What is the SMILES notation for 2-fluoro-4-methylbicyclo[4.1.0]heptane?
The canonical SMILES for 2-fluoro-4-methylbicyclo[4.1.0]heptane is CC1CC(F)C2CC2C1.
What is the InChIKey of 2-fluoro-4-methylbicyclo[4.1.0]heptane?
The InChIKey is TVMQGEUNKOHLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F/c1-5-2-6-4-7(6)8(9)3-5/h5-8H,2-4H2,1H3.
What are the key properties of 2-fluoro-4-methylbicyclo[4.1.0]heptane?
2-fluoro-4-methylbicyclo[4.1.0]heptane has a molecular weight of 128.19 g/mol, XLogP of 2.39, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methylbicyclo[4.1.0]heptane is sourced from PubChem (CID 123832026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).