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

C9H10F6 — CID 57062642

IUPAC2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane
SMILESFC(F)(F)C1C2CCC(C2)C1C(F)(F)F
InChIInChI=1S/C9H10F6/c10-8(11,12)6-4-1-2-5(3-4)7(6)9(13,14)15/h4-7H,1-3H2
InChIKeyUJSSMDIYYJRWDD-UHFFFAOYSA-N
MW232.17 g/mol
LogP3.77
Rot. Bonds

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

2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane (PubChem CID 57062642) has the molecular formula C9H10F6 and a molecular weight of 232.17 g/mol. Its IUPAC name is 2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane
PubChem CID57062642
Molecular FormulaC9H10F6
Molecular Weight232.17 g/mol
Exact Mass232.07
IUPAC Name2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane
SMILESFC(F)(F)C1C2CCC(C2)C1C(F)(F)F
InChIInChI=1S/C9H10F6/c10-8(11,12)6-4-1-2-5(3-4)7(6)9(13,14)15/h4-7H,1-3H2
InChIKeyUJSSMDIYYJRWDD-UHFFFAOYSA-N
XLogP3.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.17
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane (CID 57062642) is 2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane is FC(F)(F)C1C2CCC(C2)C1C(F)(F)F.
What is the InChIKey of 2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane?
The InChIKey is UJSSMDIYYJRWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6/c10-8(11,12)6-4-1-2-5(3-4)7(6)9(13,14)15/h4-7H,1-3H2.
What are the key properties of 2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane?
2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane has a molecular weight of 232.17 g/mol, XLogP of 3.77, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trifluoromethyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 57062642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).