2,2-difluoro-5-methylbicyclo[2.2.1]heptane

C8H12F2 — CID 45090371

IUPAC2,2-difluoro-5-methylbicyclo[2.2.1]heptane
SMILESCC1CC2CC1CC2(F)F
InChIInChI=1S/C8H12F2/c1-5-2-7-3-6(5)4-8(7,9)10/h5-7H,2-4H2,1H3
InChIKeyWKCLOOGHHHFEKH-UHFFFAOYSA-N
MW146.18 g/mol
LogP2.69
Rot. Bonds

About 2,2-difluoro-5-methylbicyclo[2.2.1]heptane

2,2-difluoro-5-methylbicyclo[2.2.1]heptane (PubChem CID 45090371) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 2,2-difluoro-5-methylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,2-difluoro-5-methylbicyclo[2.2.1]heptane
PubChem CID45090371
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name2,2-difluoro-5-methylbicyclo[2.2.1]heptane
SMILESCC1CC2CC1CC2(F)F
InChIInChI=1S/C8H12F2/c1-5-2-7-3-6(5)4-8(7,9)10/h5-7H,2-4H2,1H3
InChIKeyWKCLOOGHHHFEKH-UHFFFAOYSA-N
XLogP2.69
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 ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-methylbicyclo[2.2.1]heptane?
The IUPAC name of 2,2-difluoro-5-methylbicyclo[2.2.1]heptane (CID 45090371) is 2,2-difluoro-5-methylbicyclo[2.2.1]heptane.
What is the SMILES notation for 2,2-difluoro-5-methylbicyclo[2.2.1]heptane?
The canonical SMILES for 2,2-difluoro-5-methylbicyclo[2.2.1]heptane is CC1CC2CC1CC2(F)F.
What is the InChIKey of 2,2-difluoro-5-methylbicyclo[2.2.1]heptane?
The InChIKey is WKCLOOGHHHFEKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c1-5-2-7-3-6(5)4-8(7,9)10/h5-7H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-5-methylbicyclo[2.2.1]heptane?
2,2-difluoro-5-methylbicyclo[2.2.1]heptane has a molecular weight of 146.18 g/mol, XLogP of 2.69, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-methylbicyclo[2.2.1]heptane is sourced from PubChem (CID 45090371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).