1,1,2-tris(fluoromethyl)-2-(trifluoromethyl)cyclobutane

C8H10F6 — CID 172773052

IUPAC1,1,2-tris(fluoromethyl)-2-(trifluoromethyl)cyclobutane
SMILESFCC1(CF)CCC1(CF)C(F)(F)F
InChIInChI=1S/C8H10F6/c9-3-6(4-10)1-2-7(6,5-11)8(12,13)14/h1-5H2
InChIKeyNFITZONLSRMQME-UHFFFAOYSA-N
MW220.16 g/mol
LogP3.22
Rot. Bonds3

About 1,1,2-tris(fluoromethyl)-2-(trifluoromethyl)cyclobutane

1,1,2-tris(fluoromethyl)-2-(trifluoromethyl)cyclobutane (PubChem CID 172773052) has the molecular formula C8H10F6 and a molecular weight of 220.16 g/mol. Its IUPAC name is 1,1,2-tris(fluoromethyl)-2-(trifluoromethyl)cyclobutane.

Molecular Properties

Compound Name1,1,2-tris(fluoromethyl)-2-(trifluoromethyl)cyclobutane
PubChem CID172773052
Molecular FormulaC8H10F6
Molecular Weight220.16 g/mol
Exact Mass220.07
IUPAC Name1,1,2-tris(fluoromethyl)-2-(trifluoromethyl)cyclobutane
SMILESFCC1(CF)CCC1(CF)C(F)(F)F
InChIInChI=1S/C8H10F6/c9-3-6(4-10)1-2-7(6,5-11)8(12,13)14/h1-5H2
InChIKeyNFITZONLSRMQME-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-tris(fluoromethyl)-2-(trifluoromethyl)cyclobutane?
The IUPAC name of 1,1,2-tris(fluoromethyl)-2-(trifluoromethyl)cyclobutane (CID 172773052) is 1,1,2-tris(fluoromethyl)-2-(trifluoromethyl)cyclobutane.
What is the SMILES notation for 1,1,2-tris(fluoromethyl)-2-(trifluoromethyl)cyclobutane?
The canonical SMILES for 1,1,2-tris(fluoromethyl)-2-(trifluoromethyl)cyclobutane is FCC1(CF)CCC1(CF)C(F)(F)F.
What is the InChIKey of 1,1,2-tris(fluoromethyl)-2-(trifluoromethyl)cyclobutane?
The InChIKey is NFITZONLSRMQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6/c9-3-6(4-10)1-2-7(6,5-11)8(12,13)14/h1-5H2.
What are the key properties of 1,1,2-tris(fluoromethyl)-2-(trifluoromethyl)cyclobutane?
1,1,2-tris(fluoromethyl)-2-(trifluoromethyl)cyclobutane has a molecular weight of 220.16 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(fluoromethyl)-2-(trifluoromethyl)cyclobutane is sourced from PubChem (CID 172773052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).