1,3,3-trifluoro-2,4,4-tris(trifluoromethyl)cyclobutene

C7F12 — CID 154989597

IUPAC1,3,3-trifluoro-2,4,4-tris(trifluoromethyl)cyclobutene
SMILESFC1=C(C(F)(F)F)C(F)(F)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F12/c8-2-1(5(11,12)13)4(9,10)3(2,6(14,15)16)7(17,18)19
InChIKeySAOBCMCQBDCCRT-UHFFFAOYSA-N
MW312.05 g/mol
LogP4.53
Rot. Bonds

About 1,3,3-trifluoro-2,4,4-tris(trifluoromethyl)cyclobutene

1,3,3-trifluoro-2,4,4-tris(trifluoromethyl)cyclobutene (PubChem CID 154989597) has the molecular formula C7F12 and a molecular weight of 312.05 g/mol. Its IUPAC name is 1,3,3-trifluoro-2,4,4-tris(trifluoromethyl)cyclobutene.

Molecular Properties

Compound Name1,3,3-trifluoro-2,4,4-tris(trifluoromethyl)cyclobutene
PubChem CID154989597
Molecular FormulaC7F12
Molecular Weight312.05 g/mol
Exact Mass311.98
IUPAC Name1,3,3-trifluoro-2,4,4-tris(trifluoromethyl)cyclobutene
SMILESFC1=C(C(F)(F)F)C(F)(F)C1(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7F12/c8-2-1(5(11,12)13)4(9,10)3(2,6(14,15)16)7(17,18)19
InChIKeySAOBCMCQBDCCRT-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.05
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trifluoro-2,4,4-tris(trifluoromethyl)cyclobutene?
The IUPAC name of 1,3,3-trifluoro-2,4,4-tris(trifluoromethyl)cyclobutene (CID 154989597) is 1,3,3-trifluoro-2,4,4-tris(trifluoromethyl)cyclobutene.
What is the SMILES notation for 1,3,3-trifluoro-2,4,4-tris(trifluoromethyl)cyclobutene?
The canonical SMILES for 1,3,3-trifluoro-2,4,4-tris(trifluoromethyl)cyclobutene is FC1=C(C(F)(F)F)C(F)(F)C1(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,3,3-trifluoro-2,4,4-tris(trifluoromethyl)cyclobutene?
The InChIKey is SAOBCMCQBDCCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7F12/c8-2-1(5(11,12)13)4(9,10)3(2,6(14,15)16)7(17,18)19.
What are the key properties of 1,3,3-trifluoro-2,4,4-tris(trifluoromethyl)cyclobutene?
1,3,3-trifluoro-2,4,4-tris(trifluoromethyl)cyclobutene has a molecular weight of 312.05 g/mol, XLogP of 4.53, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trifluoro-2,4,4-tris(trifluoromethyl)cyclobutene is sourced from PubChem (CID 154989597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).