4,4-difluoro-1-methylbicyclo[4.1.0]heptane

C8H12F2 — CID 139551138

IUPAC4,4-difluoro-1-methylbicyclo[4.1.0]heptane
SMILESCC12CCC(F)(F)CC1C2
InChIInChI=1S/C8H12F2/c1-7-2-3-8(9,10)5-6(7)4-7/h6H,2-5H2,1H3
InChIKeyLOZAMYIQAVQBOE-UHFFFAOYSA-N
MW146.18 g/mol
LogP2.83
Rot. Bonds

About 4,4-difluoro-1-methylbicyclo[4.1.0]heptane

4,4-difluoro-1-methylbicyclo[4.1.0]heptane (PubChem CID 139551138) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 4,4-difluoro-1-methylbicyclo[4.1.0]heptane.

Molecular Properties

Compound Name4,4-difluoro-1-methylbicyclo[4.1.0]heptane
PubChem CID139551138
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name4,4-difluoro-1-methylbicyclo[4.1.0]heptane
SMILESCC12CCC(F)(F)CC1C2
InChIInChI=1S/C8H12F2/c1-7-2-3-8(9,10)5-6(7)4-7/h6H,2-5H2,1H3
InChIKeyLOZAMYIQAVQBOE-UHFFFAOYSA-N
XLogP2.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methylbicyclo[4.1.0]heptane?
The IUPAC name of 4,4-difluoro-1-methylbicyclo[4.1.0]heptane (CID 139551138) is 4,4-difluoro-1-methylbicyclo[4.1.0]heptane.
What is the SMILES notation for 4,4-difluoro-1-methylbicyclo[4.1.0]heptane?
The canonical SMILES for 4,4-difluoro-1-methylbicyclo[4.1.0]heptane is CC12CCC(F)(F)CC1C2.
What is the InChIKey of 4,4-difluoro-1-methylbicyclo[4.1.0]heptane?
The InChIKey is LOZAMYIQAVQBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c1-7-2-3-8(9,10)5-6(7)4-7/h6H,2-5H2,1H3.
What are the key properties of 4,4-difluoro-1-methylbicyclo[4.1.0]heptane?
4,4-difluoro-1-methylbicyclo[4.1.0]heptane has a molecular weight of 146.18 g/mol, XLogP of 2.83, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methylbicyclo[4.1.0]heptane is sourced from PubChem (CID 139551138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).