2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane

C9H8F8 — CID 57067055

IUPAC2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane
SMILESFC(F)(F)C1(F)C2CCC(C2)C1(F)C(F)(F)F
InChIInChI=1S/C9H8F8/c10-6(8(12,13)14)4-1-2-5(3-4)7(6,11)9(15,16)17/h4-5H,1-3H2
InChIKeyJPYIHLUWEIJMHH-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.96
Rot. Bonds

About 2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane

2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane (PubChem CID 57067055) has the molecular formula C9H8F8 and a molecular weight of 268.15 g/mol. Its IUPAC name is 2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane
PubChem CID57067055
Molecular FormulaC9H8F8
Molecular Weight268.15 g/mol
Exact Mass268.05
IUPAC Name2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane
SMILESFC(F)(F)C1(F)C2CCC(C2)C1(F)C(F)(F)F
InChIInChI=1S/C9H8F8/c10-6(8(12,13)14)4-1-2-5(3-4)7(6,11)9(15,16)17/h4-5H,1-3H2
InChIKeyJPYIHLUWEIJMHH-UHFFFAOYSA-N
XLogP3.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane (CID 57067055) is 2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane is FC(F)(F)C1(F)C2CCC(C2)C1(F)C(F)(F)F.
What is the InChIKey of 2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane?
The InChIKey is JPYIHLUWEIJMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F8/c10-6(8(12,13)14)4-1-2-5(3-4)7(6,11)9(15,16)17/h4-5H,1-3H2.
What are the key properties of 2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane?
2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane has a molecular weight of 268.15 g/mol, XLogP of 3.96, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 57067055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).