2,2,5,5-tetrafluoro-1-methylspiro[2.2]pentane

C6H6F4 — CID 91698620

IUPAC2,2,5,5-tetrafluoro-1-methylspiro[2.2]pentane
SMILESCC1C(F)(F)C12CC2(F)F
InChIInChI=1S/C6H6F4/c1-3-4(6(3,9)10)2-5(4,7)8/h3H,2H2,1H3
InChIKeyRMJRWWYYNNKIAS-UHFFFAOYSA-N
MW154.11 g/mol
LogP2.30
Rot. Bonds

About 2,2,5,5-tetrafluoro-1-methylspiro[2.2]pentane

2,2,5,5-tetrafluoro-1-methylspiro[2.2]pentane (PubChem CID 91698620) has the molecular formula C6H6F4 and a molecular weight of 154.11 g/mol. Its IUPAC name is 2,2,5,5-tetrafluoro-1-methylspiro[2.2]pentane.

Molecular Properties

Compound Name2,2,5,5-tetrafluoro-1-methylspiro[2.2]pentane
PubChem CID91698620
Molecular FormulaC6H6F4
Molecular Weight154.11 g/mol
Exact Mass154.04
IUPAC Name2,2,5,5-tetrafluoro-1-methylspiro[2.2]pentane
SMILESCC1C(F)(F)C12CC2(F)F
InChIInChI=1S/C6H6F4/c1-3-4(6(3,9)10)2-5(4,7)8/h3H,2H2,1H3
InChIKeyRMJRWWYYNNKIAS-UHFFFAOYSA-N
XLogP2.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.11
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2,2,5,5-tetrafluoro-1-methylspiro[2.2]pentane?
The IUPAC name of 2,2,5,5-tetrafluoro-1-methylspiro[2.2]pentane (CID 91698620) is 2,2,5,5-tetrafluoro-1-methylspiro[2.2]pentane.
What is the SMILES notation for 2,2,5,5-tetrafluoro-1-methylspiro[2.2]pentane?
The canonical SMILES for 2,2,5,5-tetrafluoro-1-methylspiro[2.2]pentane is CC1C(F)(F)C12CC2(F)F.
What is the InChIKey of 2,2,5,5-tetrafluoro-1-methylspiro[2.2]pentane?
The InChIKey is RMJRWWYYNNKIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F4/c1-3-4(6(3,9)10)2-5(4,7)8/h3H,2H2,1H3.
What are the key properties of 2,2,5,5-tetrafluoro-1-methylspiro[2.2]pentane?
2,2,5,5-tetrafluoro-1-methylspiro[2.2]pentane has a molecular weight of 154.11 g/mol, XLogP of 2.30, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,5,5-tetrafluoro-1-methylspiro[2.2]pentane is sourced from PubChem (CID 91698620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).