2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane

C8H12F2 — CID 90058200

IUPAC2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane
SMILESCC1C2CC2C(F)(F)C1C
InChIInChI=1S/C8H12F2/c1-4-5(2)8(9,10)7-3-6(4)7/h4-7H,3H2,1-2H3
InChIKeyMGCWWZPDSITVIJ-UHFFFAOYSA-N
MW146.18 g/mol
LogP2.54
Rot. Bonds

About 2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane

2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane (PubChem CID 90058200) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane
PubChem CID90058200
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane
SMILESCC1C2CC2C(F)(F)C1C
InChIInChI=1S/C8H12F2/c1-4-5(2)8(9,10)7-3-6(4)7/h4-7H,3H2,1-2H3
InChIKeyMGCWWZPDSITVIJ-UHFFFAOYSA-N
XLogP2.54
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 ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane?
The IUPAC name of 2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane (CID 90058200) is 2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane.
What is the SMILES notation for 2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane?
The canonical SMILES for 2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane is CC1C2CC2C(F)(F)C1C.
What is the InChIKey of 2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane?
The InChIKey is MGCWWZPDSITVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c1-4-5(2)8(9,10)7-3-6(4)7/h4-7H,3H2,1-2H3.
What are the key properties of 2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane?
2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane has a molecular weight of 146.18 g/mol, XLogP of 2.54, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3,4-dimethylbicyclo[3.1.0]hexane is sourced from PubChem (CID 90058200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).